2-amino-4-(hexylamino)-1H-pyrimidin-6-one

C10H18N4O — CID 135514776

IUPAC2-amino-4-(hexylamino)-1H-pyrimidin-6-one
SMILESCCCCCCNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C10H18N4O/c1-2-3-4-5-6-12-8-7-9(15)14-10(11)13-8/h7H,2-6H2,1H3,(H4,11,12,13,14,15)
InChIKeyJMTNMFHMTAWYBV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.34
Rot. Bonds6

About 2-amino-4-(hexylamino)-1H-pyrimidin-6-one

2-amino-4-(hexylamino)-1H-pyrimidin-6-one (PubChem CID 135514776) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-4-(hexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(hexylamino)-1H-pyrimidin-6-one
PubChem CID135514776
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-amino-4-(hexylamino)-1H-pyrimidin-6-one
SMILESCCCCCCNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C10H18N4O/c1-2-3-4-5-6-12-8-7-9(15)14-10(11)13-8/h7H,2-6H2,1H3,(H4,11,12,13,14,15)
InChIKeyJMTNMFHMTAWYBV-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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

4-hydroxy-2-(octylamino)-1H-pyrimidin-6-one
CID 127044299
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
2(6-isocyanatohexylaminocarbonylamino)-6-methyl-4[1H]pyrimidinone
CID 135584193
2-amino-6-(cyclopentylamino)-1H-pyrimidin-4-one
CID 135408692
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
1-octyl-3-(6-oxo-1H-pyrimidin-2-yl)urea
CID 91118207
1-[4-(dibutylamino)-6-oxo-1H-pyrimidin-2-yl]-3-dodecylurea
CID 136704301
2-(pentylamino)-1H-pyrimidin-6-one
CID 2069401
2-(tridecylamino)-1H-pyrimidin-6-one
CID 18353592

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(hexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(hexylamino)-1H-pyrimidin-6-one (CID 135514776) is 2-amino-4-(hexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(hexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(hexylamino)-1H-pyrimidin-6-one is CCCCCCNc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(hexylamino)-1H-pyrimidin-6-one?
The InChIKey is JMTNMFHMTAWYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-3-4-5-6-12-8-7-9(15)14-10(11)13-8/h7H,2-6H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 2-amino-4-(hexylamino)-1H-pyrimidin-6-one?
2-amino-4-(hexylamino)-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(hexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135514776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).