1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide

C14H24N6O — CID 80785772

IUPAC1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
SMILESCCCNc1cc(N2CCCCC2C(=O)NC)nc(N)n1
InChIInChI=1S/C14H24N6O/c1-3-7-17-11-9-12(19-14(15)18-11)20-8-5-4-6-10(20)13(21)16-2/h9-10H,3-8H2,1-2H3,(H,16,21)(H3,15,17,18,19)
InChIKeyCWCLSYZKBJKZDF-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.99
Rot. Bonds5

About 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide

1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide (PubChem CID 80785772) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
PubChem CID80785772
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
SMILESCCCNc1cc(N2CCCCC2C(=O)NC)nc(N)n1
InChIInChI=1S/C14H24N6O/c1-3-7-17-11-9-12(19-14(15)18-11)20-8-5-4-6-10(20)13(21)16-2/h9-10H,3-8H2,1-2H3,(H,16,21)(H3,15,17,18,19)
InChIKeyCWCLSYZKBJKZDF-UHFFFAOYSA-N
XLogP0.99
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80806770
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
1-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80940164
1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 114564561
1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80904574
1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80960742
N-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806703
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80784866
2-[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80767376
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80786025
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide (CID 80785772) is 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide is CCCNc1cc(N2CCCCC2C(=O)NC)nc(N)n1.
What is the InChIKey of 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
The InChIKey is CWCLSYZKBJKZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-3-7-17-11-9-12(19-14(15)18-11)20-8-5-4-6-10(20)13(21)16-2/h9-10H,3-8H2,1-2H3,(H,16,21)(H3,15,17,18,19).
What are the key properties of 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80785772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).