ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine

C13H24N6 — CID 143924904

IUPACethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESCC.[H]/N=C(\C)c1c(N)ncnc1NC1CCNCC1
InChIInChI=1S/C11H18N6.C2H6/c1-7(12)9-10(13)15-6-16-11(9)17-8-2-4-14-5-3-8;1-2/h6,8,12,14H,2-5H2,1H3,(H3,13,15,16,17);1-2H3/b12-7+;
InChIKeyGFGQDJUHUMPFLJ-RRAJOLSVSA-N
MW264.38 g/mol
LogP1.64
Rot. Bonds3

About ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine

ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine (PubChem CID 143924904) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Nameethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine
PubChem CID143924904
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Nameethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine
SMILESCC.[H]/N=C(\C)c1c(N)ncnc1NC1CCNCC1
InChIInChI=1S/C11H18N6.C2H6/c1-7(12)9-10(13)15-6-16-11(9)17-8-2-4-14-5-3-8;1-2/h6,8,12,14H,2-5H2,1H3,(H3,13,15,16,17);1-2H3/b12-7+;
InChIKeyGFGQDJUHUMPFLJ-RRAJOLSVSA-N
XLogP1.64
TPSA99.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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
4-N-butyl-6-methyl-5-(3-piperidin-1-ylprop-1-ynyl)pyrimidine-2,4-diamine
CID 135271013
6-[4-(2-Amino-1-cyclohexyl-ethyl)-piperazin-1-yl]-5-ethyl-pyrimidin-4-ylamine
CID 89445519
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 154815493
N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 154815494
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
5-ethyl-N-[(3S)-1-propylpiperidin-3-yl]pyrimidin-2-amine
CID 97186977

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine (CID 143924904) is ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine is CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCNCC1.
What is the InChIKey of ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
The InChIKey is GFGQDJUHUMPFLJ-RRAJOLSVSA-N. The full InChI is InChI=1S/C11H18N6.C2H6/c1-7(12)9-10(13)15-6-16-11(9)17-8-2-4-14-5-3-8;1-2/h6,8,12,14H,2-5H2,1H3,(H3,13,15,16,17);1-2H3/b12-7+;.
What are the key properties of ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine?
ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine has a molecular weight of 264.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 143924904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).