4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one

C13H24N4O — CID 174294025

IUPAC4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one
SMILESCCCN(CC(C)n1ccc(N)nc1=O)C(C)C
InChIInChI=1S/C13H24N4O/c1-5-7-16(10(2)3)9-11(4)17-8-6-12(14)15-13(17)18/h6,8,10-11H,5,7,9H2,1-4H3,(H2,14,15,18)
InChIKeyYPSAAQYTPJHWQD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.51
Rot. Bonds6

About 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one

4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one (PubChem CID 174294025) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one
PubChem CID174294025
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one
SMILESCCCN(CC(C)n1ccc(N)nc1=O)C(C)C
InChIInChI=1S/C13H24N4O/c1-5-7-16(10(2)3)9-11(4)17-8-6-12(14)15-13(17)18/h6,8,10-11H,5,7,9H2,1-4H3,(H2,14,15,18)
InChIKeyYPSAAQYTPJHWQD-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one (CID 174294025) is 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one is CCCN(CC(C)n1ccc(N)nc1=O)C(C)C.
What is the InChIKey of 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one?
The InChIKey is YPSAAQYTPJHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-16(10(2)3)9-11(4)17-8-6-12(14)15-13(17)18/h6,8,10-11H,5,7,9H2,1-4H3,(H2,14,15,18).
What are the key properties of 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one?
4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-[propan-2-yl(propyl)amino]propan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 174294025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).