4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H24N4O — CID 136827336

IUPAC4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCCN)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)14-16-12(9-13(19)17-14)18(8-4-7-15)11-5-3-6-11/h9-11H,3-8,15H2,1-2H3,(H,16,17,19)
InChIKeyBSHXSYOSNUNJAP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.60
Rot. Bonds6

About 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136827336) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136827336
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCCN)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)14-16-12(9-13(19)17-14)18(8-4-7-15)11-5-3-6-11/h9-11H,3-8,15H2,1-2H3,(H,16,17,19)
InChIKeyBSHXSYOSNUNJAP-UHFFFAOYSA-N
XLogP1.60
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979615
4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136972556
4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631
4-[N-(3-aminopropyl)anilino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136972446
4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136850118
4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978540
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009650
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
N'-cyclopentyl-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877562
4-[2-aminoethyl(benzyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136972760
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958280

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136827336) is 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(CCCN)C2CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BSHXSYOSNUNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)14-16-12(9-13(19)17-14)18(8-4-7-15)11-5-3-6-11/h9-11H,3-8,15H2,1-2H3,(H,16,17,19).
What are the key properties of 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136827336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).