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

C19H27N7O — CID 70671692

IUPAC1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1nc(N)nc(N2CCC(C(=O)NC(C)C)CC2)c1-c1ccc(N)nc1
InChIInChI=1S/C19H27N7O/c1-11(2)23-18(27)13-6-8-26(9-7-13)17-16(12(3)24-19(21)25-17)14-4-5-15(20)22-10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H2,20,22)(H,23,27)(H2,21,24,25)
InChIKeyIAYLESOGNFJMCX-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.75
Rot. Bonds4

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

1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 70671692) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID70671692
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1nc(N)nc(N2CCC(C(=O)NC(C)C)CC2)c1-c1ccc(N)nc1
InChIInChI=1S/C19H27N7O/c1-11(2)23-18(27)13-6-8-26(9-7-13)17-16(12(3)24-19(21)25-17)14-4-5-15(20)22-10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H2,20,22)(H,23,27)(H2,21,24,25)
InChIKeyIAYLESOGNFJMCX-UHFFFAOYSA-N
XLogP1.75
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.75
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]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 70671692) is 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide is Cc1nc(N)nc(N2CCC(C(=O)NC(C)C)CC2)c1-c1ccc(N)nc1.
What is the InChIKey of 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is IAYLESOGNFJMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-11(2)23-18(27)13-6-8-26(9-7-13)17-16(12(3)24-19(21)25-17)14-4-5-15(20)22-10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H2,20,22)(H,23,27)(H2,21,24,25).
What are the key properties of 1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.75, 4 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]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 70671692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).