2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one

C13H19N3O — CID 137016695

IUPAC2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCC2CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O/c17-12-8-11(14-7-1-2-9-3-4-9)15-13(16-12)10-5-6-10/h8-10H,1-7H2,(H2,14,15,16,17)
InChIKeyBSGFREBZHYJTAH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.25
Rot. Bonds6

About 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one (PubChem CID 137016695) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
PubChem CID137016695
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCC2CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H19N3O/c17-12-8-11(14-7-1-2-9-3-4-9)15-13(16-12)10-5-6-10/h8-10H,1-7H2,(H2,14,15,16,17)
InChIKeyBSGFREBZHYJTAH-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
2-cyclopropyl-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786682
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one (CID 137016695) is 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCC2CC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is BSGFREBZHYJTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-12-8-11(14-7-1-2-9-3-4-9)15-13(16-12)10-5-6-10/h8-10H,1-7H2,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 233.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137016695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).