4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one

C10H18N4O — CID 136689848

IUPAC4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCCN)cc(=O)[nH]1
InChIInChI=1S/C10H18N4O/c1-8-13-9(7-10(15)14-8)12-6-4-2-3-5-11/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyDZGNYBCABRTFJV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.62
Rot. Bonds6

About 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one

4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136689848) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136689848
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCCN)cc(=O)[nH]1
InChIInChI=1S/C10H18N4O/c1-8-13-9(7-10(15)14-8)12-6-4-2-3-5-11/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeyDZGNYBCABRTFJV-UHFFFAOYSA-N
XLogP0.62
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956608
2-methyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957049
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-methyl-1H-pyrimidin-6-one
CID 136979153
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
4-(2-fluoroethylamino)-2-methyl-1H-pyrimidin-6-one
CID 137243133
2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
CID 137262841

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one (CID 136689848) is 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCCCN)cc(=O)[nH]1.
What is the InChIKey of 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DZGNYBCABRTFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-13-9(7-10(15)14-8)12-6-4-2-3-5-11/h7H,2-6,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one?
4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136689848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).