(3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one

C44H58Cl3N15O7 — CID 167584075

About (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one

(3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one (PubChem CID 167584075) has the molecular formula C44H58Cl3N15O7 and a molecular weight of 1015.40 g/mol. Its IUPAC name is (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one.

Molecular Properties

• Compound Name: (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one
• PubChem CID: 167584075
• Molecular Formula: C44H58Cl3N15O7
• Molecular Weight: 1015.40 g/mol
• Exact Mass: 1013.37
• IUPAC Name: (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one
• SMILES: COc1nc(-c2c(C)cnn2C)cc(N2CCOC[C@H]2C)n1.COc1nc(Cl)cc(Cl)n1.COc1nc(Cl)cc(N2CCOC[C@H]2C)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(=O)[nH]1
• InChI: InChI=1S/C15H21N5O2.C14H19N5O2.C10H14ClN3O2.C5H4Cl2N2O/c1-10-8-16-19(3)14(10)12-7-13(18-15(17-12)21-4)20-5-6-22-9-11(20)2;1-9-7-15-18(3)13(9)11-6-12(17-14(20)16-11)19-4-5-21-8-10(19)2;1-7-6-16-4-3-14(7)9-5-8(11)12-10(13-9)15-2;1-10-5-8-3(6)2-4(7)9-5/h7-8,11H,5-6,9H2,1-4H3;6-7,10H,4-5,8H2,1-3H3,(H,16,17,20);5,7H,3-4,6H2,1-2H3;2H,1H3/t11-;10-;7-;/m111./s1
• InChIKey: HOASHAOXUIDHNI-RQSXFIDNSA-N
• XLogP: 5.28
• TPSA: 223.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1015.40
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one?

The IUPAC name of (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one (CID 167584075) is (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one.

What is the SMILES notation for (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one?

The canonical SMILES for (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one is COc1nc(-c2c(C)cnn2C)cc(N2CCOC[C@H]2C)n1.COc1nc(Cl)cc(Cl)n1.COc1nc(Cl)cc(N2CCOC[C@H]2C)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(=O)[nH]1.

What is the InChIKey of (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one?

The InChIKey is HOASHAOXUIDHNI-RQSXFIDNSA-N. The full InChI is InChI=1S/C15H21N5O2.C14H19N5O2.C10H14ClN3O2.C5H4Cl2N2O/c1-10-8-16-19(3)14(10)12-7-13(18-15(17-12)21-4)20-5-6-22-9-11(20)2;1-9-7-15-18(3)13(9)11-6-12(17-14(20)16-11)19-4-5-21-8-10(19)2;1-7-6-16-4-3-14(7)9-5-8(11)12-10(13-9)15-2;1-10-5-8-3(6)2-4(7)9-5/h7-8,11H,5-6,9H2,1-4H3;6-7,10H,4-5,8H2,1-3H3,(H,16,17,20);5,7H,3-4,6H2,1-2H3;2H,1H3/t11-;10-;7-;/m111./s1.

What are the key properties of (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one?

(3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one has a molecular weight of 1015.40 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-(6-chloro-2-methoxypyrimidin-4-yl)-3-methylmorpholine;4,6-dichloro-2-methoxypyrimidine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-methoxypyrimidin-4-yl]-3-methylmorpholine;6-(1,4-dimethylpyrazol-5-yl)-4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 167584075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).