2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one

C21H25N7O — CID 126890774

IUPAC2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1cc(N(C2CC2)C2CCN(c3nc4cnccc4c(=O)n3C)CC2)ncn1
InChIInChI=1S/C21H25N7O/c1-14-11-19(24-13-23-14)28(15-3-4-15)16-6-9-27(10-7-16)21-25-18-12-22-8-5-17(18)20(29)26(21)2/h5,8,11-13,15-16H,3-4,6-7,9-10H2,1-2H3
InChIKeyNMKWDXOQNUOOLC-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.06
Rot. Bonds4

About 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one

2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one (PubChem CID 126890774) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
PubChem CID126890774
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
SMILESCc1cc(N(C2CC2)C2CCN(c3nc4cnccc4c(=O)n3C)CC2)ncn1
InChIInChI=1S/C21H25N7O/c1-14-11-19(24-13-23-14)28(15-3-4-15)16-6-9-27(10-7-16)21-25-18-12-22-8-5-17(18)20(29)26(21)2/h5,8,11-13,15-16H,3-4,6-7,9-10H2,1-2H3
InChIKeyNMKWDXOQNUOOLC-UHFFFAOYSA-N
XLogP2.06
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 126890479
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 126890517
3-methyl-2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126947553
N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890518
3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126945090
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
CID 126887882
2-[4-[[4-(difluoromethyl)-6-oxopyrimidin-1-yl]methyl]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126944196
3-methyl-2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126932274
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126890682
N-cyclopropyl-6-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890525
N-cyclopropyl-6-methyl-N-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrimidin-4-amine
CID 126890465

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one (CID 126890774) is 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one is Cc1cc(N(C2CC2)C2CCN(c3nc4cnccc4c(=O)n3C)CC2)ncn1.
What is the InChIKey of 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NMKWDXOQNUOOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14-11-19(24-13-23-14)28(15-3-4-15)16-6-9-27(10-7-16)21-25-18-12-22-8-5-17(18)20(29)26(21)2/h5,8,11-13,15-16H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one?
2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one has a molecular weight of 391.48 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-3-methylpyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126890774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).