4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one

C12H20N4O — CID 136977664

IUPAC4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCCC2N)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-2-10-15-11(7-12(17)16-10)14-9-6-4-3-5-8(9)13/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyGHSDSALRNKEXRY-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.01
Rot. Bonds3

About 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one

4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136977664) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136977664
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCCCC2N)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-2-10-15-11(7-12(17)16-10)14-9-6-4-3-5-8(9)13/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyGHSDSALRNKEXRY-UHFFFAOYSA-N
XLogP1.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136976602
4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136977072
2-ethyl-4-[(1-ethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974521
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778341
2-ethyl-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1H-pyrimidin-6-one
CID 136975923
2-ethyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-1H-pyrimidin-6-one
CID 136975495
4-[(1,1-dioxothiolan-2-yl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136976507
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240537
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-ethyl-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136977181

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136977664) is 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NC2CCCCC2N)cc(=O)[nH]1.
What is the InChIKey of 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is GHSDSALRNKEXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-10-15-11(7-12(17)16-10)14-9-6-4-3-5-8(9)13/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136977664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).