2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide

C16H26N6O2 — CID 136663745

IUPAC2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C16H26N6O2/c1-11(15(24)18-12-4-2-3-5-12)21-6-8-22(9-7-21)13-10-14(23)20-16(17)19-13/h10-12H,2-9H2,1H3,(H,18,24)(H3,17,19,20,23)
InChIKeyZZKAHPNMMAFPBJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.08
Rot. Bonds4

About 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide

2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide (PubChem CID 136663745) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide
PubChem CID136663745
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C16H26N6O2/c1-11(15(24)18-12-4-2-3-5-12)21-6-8-22(9-7-21)13-10-14(23)20-16(17)19-13/h10-12H,2-9H2,1H3,(H,18,24)(H3,17,19,20,23)
InChIKeyZZKAHPNMMAFPBJ-UHFFFAOYSA-N
XLogP-0.08
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136761451
N-cyclohexyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136907837
7-Cyclohexyl-1,3,7-trimethyl-8-piperazin-1-ylpurin-7-ium-2,6-dione
CID 17950258
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 136477558
2-amino-N-cyclopentyl-6-oxo-1H-pyrimidine-4-carboxamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 161079387
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
2-Amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione
CID 175856134
2-Amino-8-cyclopentyl-5,7-dimethyl-3,7-dihydropteridine-4,6-dione
CID 175856170
(7R)-2-amino-8-cyclopentyl-7-ethyl-5-methyl-3,7-dihydropteridine-4,6-dione
CID 175856193
2-amino-6-(3-aminopiperidin-1-yl)pyrimidin-4(3H)-one
CID 136121122
1-methyl-3-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-1-propan-2-ylurea
CID 136559696
2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568411

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide?
The IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide (CID 136663745) is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N1CCN(c2cc(=O)[nH]c(N)n2)CC1.
What is the InChIKey of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide?
The InChIKey is ZZKAHPNMMAFPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-11(15(24)18-12-4-2-3-5-12)21-6-8-22(9-7-21)13-10-14(23)20-16(17)19-13/h10-12H,2-9H2,1H3,(H,18,24)(H3,17,19,20,23).
What are the key properties of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide?
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide has a molecular weight of 334.42 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclopentylpropanamide is sourced from PubChem (CID 136663745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).