4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one

C12H22N4O — CID 136829855

IUPAC4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CCCCCN)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-3-10-14-11(9-12(17)15-10)16(2)8-6-4-5-7-13/h9H,3-8,13H2,1-2H3,(H,14,15,17)
InChIKeyZWFNUFCWAGISNU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.90
Rot. Bonds7

About 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136829855) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136829855
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(C)CCCCCN)cc(=O)[nH]1
InChIInChI=1S/C12H22N4O/c1-3-10-14-11(9-12(17)15-10)16(2)8-6-4-5-7-13/h9H,3-8,13H2,1-2H3,(H,14,15,17)
InChIKeyZWFNUFCWAGISNU-UHFFFAOYSA-N
XLogP0.90
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-6-[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 16227797
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136932128
2-ethyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976587
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-[(3-amino-2,2-difluoropropyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136979146
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
2-propan-2-yl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 137016591
2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
CID 137262841
N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide
CID 70866379
4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136117232

Frequently Asked Questions

What is the IUPAC name of 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136829855) is 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(C)CCCCCN)cc(=O)[nH]1.
What is the InChIKey of 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is ZWFNUFCWAGISNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-10-14-11(9-12(17)15-10)16(2)8-6-4-5-7-13/h9H,3-8,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-aminopentyl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136829855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).