4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane

C16H31N5 — CID 144819461

IUPAC4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
SMILESCC.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C12H19N5.2C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9;2*1-2/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17);2*1-2H3/b13-8+;;
InChIKeyXBOPUNDFMCSEEU-LIYVDSPJSA-N
MW293.46 g/mol
LogP4.24
Rot. Bonds3

About 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane

4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane (PubChem CID 144819461) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane.

Molecular Properties

Compound Name4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
PubChem CID144819461
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
SMILESCC.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C12H19N5.2C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9;2*1-2/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17);2*1-2H3/b13-8+;;
InChIKeyXBOPUNDFMCSEEU-LIYVDSPJSA-N
XLogP4.24
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N4-cyclohexyl-N6,2-dicyclopropyl-5-methyl-4,6-pyrimidinediamine
CID 44409760
6-[4-(2-Amino-1-cyclohexyl-ethyl)-piperazin-1-yl]-5-ethyl-pyrimidin-4-ylamine
CID 89445519
5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 154815493
N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 154815495
N-cyclopentyl-N'-(5,6-dimethylpyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 72892795
5,6-Dimethyl-N-[3-(4-methylpiperazin-1-YL)propyl]pyrimidin-4-amine
CID 72915490
4-(4-Cyclohexylpiperazin-1-YL)-5,6-dimethylpyrimidine
CID 72926799
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine
CID 97113229
5-methyl-4-N,6-N-bis(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 122154146
2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine
CID 132207768
6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine
CID 134299789
N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 141374951

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane?
The IUPAC name of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane (CID 144819461) is 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane.
What is the SMILES notation for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane?
The canonical SMILES for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane is CC.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1.
What is the InChIKey of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane?
The InChIKey is XBOPUNDFMCSEEU-LIYVDSPJSA-N. The full InChI is InChI=1S/C12H19N5.2C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9;2*1-2/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17);2*1-2H3/b13-8+;;.
What are the key properties of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane?
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane has a molecular weight of 293.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane is sourced from PubChem (CID 144819461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).