4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

C14H22N4O — CID 136672017

IUPAC4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC(Nc1cc(=O)[nH]c(C2CC2)n1)C1CCCC1
InChIInChI=1S/C14H22N4O/c15-8-11(9-3-1-2-4-9)16-12-7-13(19)18-14(17-12)10-5-6-10/h7,9-11H,1-6,8,15H2,(H2,16,17,18,19)
InChIKeyIDJNQBSTOIVSPR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.58
Rot. Bonds5

About 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136672017) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136672017
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC(Nc1cc(=O)[nH]c(C2CC2)n1)C1CCCC1
InChIInChI=1S/C14H22N4O/c15-8-11(9-3-1-2-4-9)16-12-7-13(19)18-14(17-12)10-5-6-10/h7,9-11H,1-6,8,15H2,(H2,16,17,18,19)
InChIKeyIDJNQBSTOIVSPR-UHFFFAOYSA-N
XLogP1.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978194
4-amino-2-[amino(cyclopropyl)methyl]-1H-pyrimidin-6-one
CID 136077492
2-cyclopentyl-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095276
2-cyclopentyl-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095507
2-cyclopentyl-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136095571
2-cyclohexyl-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 136095686
2-cyclopentyl-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 136095689
2-cyclopentyl-4-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 136095752
2-(3-methylcyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136249979
4-[(cyclopropylamino)methyl]-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
CID 136249984
2-(3-ethylcyclopentyl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136252048
4-[(cyclopropylamino)methyl]-2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
CID 136252051

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136672017) is 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is NCC(Nc1cc(=O)[nH]c(C2CC2)n1)C1CCCC1.
What is the InChIKey of 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is IDJNQBSTOIVSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-8-11(9-3-1-2-4-9)16-12-7-13(19)18-14(17-12)10-5-6-10/h7,9-11H,1-6,8,15H2,(H2,16,17,18,19).
What are the key properties of 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136672017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).