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

C14H22N4O — CID 136958264

IUPAC4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCN(c1cc(=O)[nH]c(C2CC2)n1)C1CCC(N)CC1
InChIInChI=1S/C14H22N4O/c1-18(11-6-4-10(15)5-7-11)12-8-13(19)17-14(16-12)9-2-3-9/h8-11H,2-7,15H2,1H3,(H,16,17,19)
InChIKeyUKWSBONIQOGSGU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.35
Rot. Bonds3

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

4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136958264) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136958264
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCN(c1cc(=O)[nH]c(C2CC2)n1)C1CCC(N)CC1
InChIInChI=1S/C14H22N4O/c1-18(11-6-4-10(15)5-7-11)12-8-13(19)17-14(16-12)9-2-3-9/h8-11H,2-7,15H2,1H3,(H,16,17,19)
InChIKeyUKWSBONIQOGSGU-UHFFFAOYSA-N
XLogP1.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
4-(dimethylamino)-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136345066
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672452
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
4-(5-aminopentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136689850
2-cyclopropyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701821
4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136704107
4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136704108
4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136704109
2-cyclopropyl-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726431
2-cyclopropyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730578

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136958264) is 4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one is CN(c1cc(=O)[nH]c(C2CC2)n1)C1CCC(N)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is UKWSBONIQOGSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(11-6-4-10(15)5-7-11)12-8-13(19)17-14(16-12)9-2-3-9/h8-11H,2-7,15H2,1H3,(H,16,17,19).
What are the key properties of 4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).