4-(hexan-3-ylamino)-1H-pyrimidin-6-one

C10H17N3O — CID 136956532

IUPAC4-(hexan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(CC)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O/c1-3-5-8(4-2)13-9-6-10(14)12-7-11-9/h6-8H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeySOTWSDPGLLNIOV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.76
Rot. Bonds5

About 4-(hexan-3-ylamino)-1H-pyrimidin-6-one

4-(hexan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956532) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(hexan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(hexan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136956532
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(hexan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCCC(CC)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O/c1-3-5-8(4-2)13-9-6-10(14)12-7-11-9/h6-8H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeySOTWSDPGLLNIOV-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 137269684
6-[(2,2-Difluorobutyl)amino]-3,4-dihydropyrimidin-4-one
CID 164654754
2-(heptan-3-ylamino)-1H-pyrimidin-6-one
CID 22182970
2-(Cyclohexylamino)-3-methylpyrimidin-4-one
CID 91499766
4-(cyclopropylamino)-1H-pyrimidin-6-one
CID 136006849
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322

Frequently Asked Questions

What is the IUPAC name of 4-(hexan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(hexan-3-ylamino)-1H-pyrimidin-6-one (CID 136956532) is 4-(hexan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(hexan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(hexan-3-ylamino)-1H-pyrimidin-6-one is CCCC(CC)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(hexan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is SOTWSDPGLLNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-5-8(4-2)13-9-6-10(14)12-7-11-9/h6-8H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(hexan-3-ylamino)-1H-pyrimidin-6-one?
4-(hexan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).