2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C15H23N3O — CID 136723581

IUPAC2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2cc(=O)[nH]c(C3CC3)n2)CCCC1
InChIInChI=1S/C15H23N3O/c1-2-15(7-3-4-8-15)10-16-12-9-13(19)18-14(17-12)11-5-6-11/h9,11H,2-8,10H2,1H3,(H2,16,17,18,19)
InChIKeyCSAHRELGOIFBCO-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds5

About 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136723581) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136723581
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2cc(=O)[nH]c(C3CC3)n2)CCCC1
InChIInChI=1S/C15H23N3O/c1-2-15(7-3-4-8-15)10-16-12-9-13(19)18-14(17-12)11-5-6-11/h9,11H,2-8,10H2,1H3,(H2,16,17,18,19)
InChIKeyCSAHRELGOIFBCO-UHFFFAOYSA-N
XLogP3.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[1-(aminomethyl)cyclopentyl]-1H-pyrimidin-6-one
CID 136301476
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136672017
4-[(2-amino-1-cyclopentylethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672018
4-[(2-amino-1-cyclopentylethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136672019
4-[(2-amino-1-cyclopentylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672023
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-ethyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701809
4-(7-methyloctylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136701811
2-cyclopropyl-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701814
2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701817
4-(2-ethylhexylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136701819
2-cyclopropyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701821

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136723581) is 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CCC1(CNc2cc(=O)[nH]c(C3CC3)n2)CCCC1.
What is the InChIKey of 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is CSAHRELGOIFBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-15(7-3-4-8-15)10-16-12-9-13(19)18-14(17-12)11-5-6-11/h9,11H,2-8,10H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 261.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136723581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).