6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine

C21H30N6O4S — CID 137498414

IUPAC6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(C3CCN(S(C)(=O)=O)CC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1
InChIInChI=1S/C21H30N6O4S/c1-14-13-31-9-8-27(14)19-12-17(15-4-6-26(7-5-15)32(3,28)29)23-21(25-19)16-10-18(22)24-20(11-16)30-2/h10-12,14-15H,4-9,13H2,1-3H3,(H2,22,24)/t14-/m1/s1
InChIKeyULEATGQOMPUSAG-CQSZACIVSA-N
MW462.58 g/mol
LogP1.49
Rot. Bonds5

About 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine

6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine (PubChem CID 137498414) has the molecular formula C21H30N6O4S and a molecular weight of 462.58 g/mol. Its IUPAC name is 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine
PubChem CID137498414
Molecular FormulaC21H30N6O4S
Molecular Weight462.58 g/mol
Exact Mass462.20
IUPAC Name6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(C3CCN(S(C)(=O)=O)CC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1
InChIInChI=1S/C21H30N6O4S/c1-14-13-31-9-8-27(14)19-12-17(15-4-6-26(7-5-15)32(3,28)29)23-21(25-19)16-10-18(22)24-20(11-16)30-2/h10-12,14-15H,4-9,13H2,1-3H3,(H2,22,24)/t14-/m1/s1
InChIKeyULEATGQOMPUSAG-CQSZACIVSA-N
XLogP1.49
TPSA123.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine (CID 137498414) is 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine is COc1cc(-c2nc(C3CCN(S(C)(=O)=O)CC3)cc(N3CCOC[C@H]3C)n2)cc(N)n1.
What is the InChIKey of 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is ULEATGQOMPUSAG-CQSZACIVSA-N. The full InChI is InChI=1S/C21H30N6O4S/c1-14-13-31-9-8-27(14)19-12-17(15-4-6-26(7-5-15)32(3,28)29)23-21(25-19)16-10-18(22)24-20(11-16)30-2/h10-12,14-15H,4-9,13H2,1-3H3,(H2,22,24)/t14-/m1/s1.
What are the key properties of 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine?
6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 462.58 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylpiperidin-4-yl)pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 137498414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).