4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one

C20H29N5O — CID 137269828

IUPAC4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N(C)C3CCN(C(C)C)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C20H29N5O/c1-13(2)25-10-8-17(9-11-25)24(5)18-7-6-16(12-21-18)19-22-15(4)14(3)20(26)23-19/h6-7,12-13,17H,8-11H2,1-5H3,(H,22,23,26)
InChIKeyICCVWSVRHJQRTA-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.76
Rot. Bonds4

About 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137269828) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137269828
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N(C)C3CCN(C(C)C)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C20H29N5O/c1-13(2)25-10-8-17(9-11-25)24(5)18-7-6-16(12-21-18)19-22-15(4)14(3)20(26)23-19/h6-7,12-13,17H,8-11H2,1-5H3,(H,22,23,26)
InChIKeyICCVWSVRHJQRTA-UHFFFAOYSA-N
XLogP2.76
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one (CID 137269828) is 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(N(C)C3CCN(C(C)C)CC3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is ICCVWSVRHJQRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-13(2)25-10-8-17(9-11-25)24(5)18-7-6-16(12-21-18)19-22-15(4)14(3)20(26)23-19/h6-7,12-13,17H,8-11H2,1-5H3,(H,22,23,26).
What are the key properties of 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 355.49 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137269828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).