2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one

C13H21N3O2 — CID 136786673

IUPAC2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
SMILESCOCCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-18-8-4-2-3-7-14-11-9-12(17)16-13(15-11)10-5-6-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyYKLAHKRXSQHJEK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.88
Rot. Bonds8

About 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136786673) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
PubChem CID136786673
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
SMILESCOCCCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H21N3O2/c1-18-8-4-2-3-7-14-11-9-12(17)16-13(15-11)10-5-6-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyYKLAHKRXSQHJEK-UHFFFAOYSA-N
XLogP1.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.88
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-(5-methoxypentylamino)-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

2-cyclopropyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586410
2-cyclopropyl-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796546
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696647
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-(6-aminohexylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136755779
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214
2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756216
4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136759213

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one (CID 136786673) is 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one is COCCCCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is YKLAHKRXSQHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-8-4-2-3-7-14-11-9-12(17)16-13(15-11)10-5-6-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136786673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).