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

C13H24N4O — CID 136972556

IUPAC4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCCN)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-9(2)13-15-11(8-12(18)16-13)17(10(3)4)7-5-6-14/h8-10H,5-7,14H2,1-4H3,(H,15,16,18)
InChIKeyHXWKZABZCYISJO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.46
Rot. Bonds6

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

4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136972556) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136972556
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CCCN)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H24N4O/c1-9(2)13-15-11(8-12(18)16-13)17(10(3)4)7-5-6-14/h8-10H,5-7,14H2,1-4H3,(H,15,16,18)
InChIKeyHXWKZABZCYISJO-UHFFFAOYSA-N
XLogP1.46
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

4-[3-aminopropyl(cyclobutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136827336
4-[N-(3-aminopropyl)anilino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136972446
4-[2-aminoethyl(benzyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136972760
4-[piperidin-3-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805343
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136990017
3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016014
2-cyclopropyl-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136989571
4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978540
2-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016019
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737796
4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136857346
3-[ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 137015758

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136972556) is 4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(CCCN)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HXWKZABZCYISJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)13-15-11(8-12(18)16-13)17(10(3)4)7-5-6-14/h8-10H,5-7,14H2,1-4H3,(H,15,16,18).
What are the key properties of 4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).