2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one

C14H23N3O2 — CID 136883380

IUPAC2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)19-8-4-3-7-15-12-9-13(18)17-14(16-12)11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyZJKBAGWKCSUVPQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.26
Rot. Bonds8

About 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one (PubChem CID 136883380) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
PubChem CID136883380
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)19-8-4-3-7-15-12-9-13(18)17-14(16-12)11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyZJKBAGWKCSUVPQ-UHFFFAOYSA-N
XLogP2.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-6-(3-propan-2-yloxypropylamino)-1H-pyrimidine-4-thione
CID 82457502
2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852193
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
CID 136977515
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one (CID 136883380) is 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one is CC(C)OCCCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
The InChIKey is ZJKBAGWKCSUVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)19-8-4-3-7-15-12-9-13(18)17-14(16-12)11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136883380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).