(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol

C19H29N7O2 — CID 146113334

About (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 146113334) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
• PubChem CID: 146113334
• Molecular Formula: C19H29N7O2
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.24
• IUPAC Name: (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
• SMILES: COc1cc(C)nc(CCNc2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)n1
• InChI: InChI=1S/C19H29N7O2/c1-13-7-19(28-4)24-16(23-13)5-6-20-17-9-18(22-12-21-17)26-11-15(27)8-14(26)10-25(2)3/h7,9,12,14-15,27H,5-6,8,10-11H2,1-4H3,(H,20,21,22)/t14-,15-/m1/s1
• InChIKey: SMCXRDQVSXOPFV-HUUCEWRRSA-N
• XLogP: 0.74
• TPSA: 99.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?

The IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 146113334) is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol.

What is the SMILES notation for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?

The canonical SMILES for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol is COc1cc(C)nc(CCNc2cc(N3C[C@H](O)C[C@@H]3CN(C)C)ncn2)n1.

What is the InChIKey of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?

The InChIKey is SMCXRDQVSXOPFV-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-13-7-19(28-4)24-16(23-13)5-6-20-17-9-18(22-12-21-17)26-11-15(27)8-14(26)10-25(2)3/h7,9,12,14-15,27H,5-6,8,10-11H2,1-4H3,(H,20,21,22)/t14-,15-/m1/s1.

What are the key properties of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol?

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 387.49 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(4-methoxy-6-methylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 146113334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).