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

C15H29N5 — CID 145120458

IUPAC4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
SMILESCC.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCCC1
InChIInChI=1S/C11H17N5.2C2H6/c1-7(12)9-10(13)14-6-15-11(9)16-8-4-2-3-5-8;2*1-2/h6,8,12H,2-5H2,1H3,(H3,13,14,15,16);2*1-2H3/b12-7+;;
InChIKeyMZZJHZFXUTXLSY-CURPJKDSSA-N
MW279.43 g/mol
LogP3.85
Rot. Bonds3

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

4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane (PubChem CID 145120458) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane.

Molecular Properties

Compound Name4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
PubChem CID145120458
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
SMILESCC.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCCC1
InChIInChI=1S/C11H17N5.2C2H6/c1-7(12)9-10(13)14-6-15-11(9)16-8-4-2-3-5-8;2*1-2/h6,8,12H,2-5H2,1H3,(H3,13,14,15,16);2*1-2H3/b12-7+;;
InChIKeyMZZJHZFXUTXLSY-CURPJKDSSA-N
XLogP3.85
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.85
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

4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
Pyrimidine, 2-amino-4-(gamma-diethylaminopropylamino)-5,6-dimethyl-
CID 114146
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
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine
CID 97113229
(2S)-2-N,2-N-dimethyl-1-N-(2,5,6-trimethylpyrimidin-4-yl)pentane-1,2-diamine
CID 97117039
1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine
CID 118973068
N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 141374951
4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine
CID 142292803
5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 143924821

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane?
The IUPAC name of 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane (CID 145120458) is 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane.
What is the SMILES notation for 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane?
The canonical SMILES for 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane is CC.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane?
The InChIKey is MZZJHZFXUTXLSY-CURPJKDSSA-N. The full InChI is InChI=1S/C11H17N5.2C2H6/c1-7(12)9-10(13)14-6-15-11(9)16-8-4-2-3-5-8;2*1-2/h6,8,12H,2-5H2,1H3,(H3,13,14,15,16);2*1-2H3/b12-7+;;.
What are the key properties of 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane?
4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane has a molecular weight of 279.43 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane is sourced from PubChem (CID 145120458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).