ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine

C14H26N6 — CID 156857442

IUPACethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCC.[H]/N=C(\C)c1c(N)ncnc1NC1CCN(C)CC1
InChIInChI=1S/C12H20N6.C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-3-5-18(2)6-4-9;1-2/h7,9,13H,3-6H2,1-2H3,(H3,14,15,16,17);1-2H3/b13-8+;
InChIKeyCXCPRXFSKWUPTM-FNXZNAJJSA-N
MW278.40 g/mol
LogP1.98
Rot. Bonds3

About ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine

ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine (PubChem CID 156857442) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Nameethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
PubChem CID156857442
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Nameethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCC.[H]/N=C(\C)c1c(N)ncnc1NC1CCN(C)CC1
InChIInChI=1S/C12H20N6.C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-3-5-18(2)6-4-9;1-2/h7,9,13H,3-6H2,1-2H3,(H3,14,15,16,17);1-2H3/b13-8+;
InChIKeyCXCPRXFSKWUPTM-FNXZNAJJSA-N
XLogP1.98
TPSA90.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.98
H-Bond Donors ≤ 53
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-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
Pyrimidine, 2-amino-4-(gamma-diethylaminopropylamino)-5,6-dimethyl-
CID 114146
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-4-amine
CID 50988376
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-ethyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72902480
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

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine (CID 156857442) is ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine is CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCN(C)CC1.
What is the InChIKey of ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine?
The InChIKey is CXCPRXFSKWUPTM-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H20N6.C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-3-5-18(2)6-4-9;1-2/h7,9,13H,3-6H2,1-2H3,(H3,14,15,16,17);1-2H3/b13-8+;.
What are the key properties of ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine?
ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 156857442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).