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

C13H24N4O — CID 136952728

IUPAC4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)CCCCCN)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-10(2)13-15-11(9-12(18)16-13)17(3)8-6-4-5-7-14/h9-10H,4-8,14H2,1-3H3,(H,15,16,18)
InChIKeyNPEKHJUEJRIETF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.46
Rot. Bonds7

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

4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136952728) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136952728
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)CCCCCN)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-10(2)13-15-11(9-12(18)16-13)17(3)8-6-4-5-7-14/h9-10H,4-8,14H2,1-3H3,(H,15,16,18)
InChIKeyNPEKHJUEJRIETF-UHFFFAOYSA-N
XLogP1.46
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.46
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

4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136932127
2-propan-2-yl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973715
2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975606
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
4-[(3-amino-2,2-difluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979152
4-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989920
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009243

Frequently Asked Questions

What is the IUPAC name of 4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136952728) is 4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(C)CCCCCN)cc(=O)[nH]1.
What is the InChIKey of 4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NPEKHJUEJRIETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)13-15-11(9-12(18)16-13)17(3)8-6-4-5-7-14/h9-10H,4-8,14H2,1-3H3,(H,15,16,18).
What are the key properties of 4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[5-aminopentyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.46, 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136952728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).