2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide

C20H33N5O — CID 131930346

IUPAC2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(N3CCCCC3)CCCC2)nc(N)n1
InChIInChI=1S/C20H33N5O/c1-15(2)12-16-13-17(24-19(21)23-16)18(26)22-14-20(8-4-5-9-20)25-10-6-3-7-11-25/h13,15H,3-12,14H2,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyTVIIZDRXYWSOKY-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.79
Rot. Bonds6

About 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide

2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide (PubChem CID 131930346) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide
PubChem CID131930346
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(N3CCCCC3)CCCC2)nc(N)n1
InChIInChI=1S/C20H33N5O/c1-15(2)12-16-13-17(24-19(21)23-16)18(26)22-14-20(8-4-5-9-20)25-10-6-3-7-11-25/h13,15H,3-12,14H2,1-2H3,(H,22,26)(H2,21,23,24)
InChIKeyTVIIZDRXYWSOKY-UHFFFAOYSA-N
XLogP2.79
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide
CID 91771967
6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 131899053
2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide
CID 131950985
5-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 55740432
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
5-propyl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide
CID 102602881
1-[1-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 26400088
2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 119903545
2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide
CID 70755176
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 131914788

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide (CID 131930346) is 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NCC2(N3CCCCC3)CCCC2)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is TVIIZDRXYWSOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-15(2)12-16-13-17(24-19(21)23-16)18(26)22-14-20(8-4-5-9-20)25-10-6-3-7-11-25/h13,15H,3-12,14H2,1-2H3,(H,22,26)(H2,21,23,24).
What are the key properties of 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylpropyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 131930346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).