5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one

C12H20N4O — CID 137016581

IUPAC5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CCCC(Nc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H20N4O/c1-12(2)5-3-4-8(6-12)16-10-9(13)11(17)15-7-14-10/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyFENVJFIZXCCPEZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.73
Rot. Bonds2

About 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 137016581) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID137016581
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CCCC(Nc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H20N4O/c1-12(2)5-3-4-8(6-12)16-10-9(13)11(17)15-7-14-10/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyFENVJFIZXCCPEZ-UHFFFAOYSA-N
XLogP1.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134
5-amino-4-(thian-3-ylamino)-1H-pyrimidin-6-one
CID 136977324
3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
CID 115880977
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-amino-4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730586
5-chloro-4-N-(3,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 106812467
2-[4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136974324
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136870764
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 137016581) is 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one is CC1(C)CCCC(Nc2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FENVJFIZXCCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2)5-3-4-8(6-12)16-10-9(13)11(17)15-7-14-10/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).