1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide

C16H21N7O — CID 70671671

IUPAC1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(N)nc(N2CCC(C(N)=O)CC2)c1-c1ccc(N)nc1
InChIInChI=1S/C16H21N7O/c1-9-13(11-2-3-12(17)20-8-11)15(22-16(19)21-9)23-6-4-10(5-7-23)14(18)24/h2-3,8,10H,4-7H2,1H3,(H2,17,20)(H2,18,24)(H2,19,21,22)
InChIKeyDPDCNDXCHHHFKB-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.71
Rot. Bonds3

About 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide

1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 70671671) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID70671671
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1nc(N)nc(N2CCC(C(N)=O)CC2)c1-c1ccc(N)nc1
InChIInChI=1S/C16H21N7O/c1-9-13(11-2-3-12(17)20-8-11)15(22-16(19)21-9)23-6-4-10(5-7-23)14(18)24/h2-3,8,10H,4-7H2,1H3,(H2,17,20)(H2,18,24)(H2,19,21,22)
InChIKeyDPDCNDXCHHHFKB-UHFFFAOYSA-N
XLogP0.71
TPSA137.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide (CID 70671671) is 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide is Cc1nc(N)nc(N2CCC(C(N)=O)CC2)c1-c1ccc(N)nc1.
What is the InChIKey of 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is DPDCNDXCHHHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-9-13(11-2-3-12(17)20-8-11)15(22-16(19)21-9)23-6-4-10(5-7-23)14(18)24/h2-3,8,10H,4-7H2,1H3,(H2,17,20)(H2,18,24)(H2,19,21,22).
What are the key properties of 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide?
1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 70671671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).