ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine

C16H30N6 — CID 143924892

IUPACethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCC.[H]/N=C(\C)c1c(N)ncnc1NC1CCN(C(C)C)CC1
InChIInChI=1S/C14H24N6.C2H6/c1-9(2)20-6-4-11(5-7-20)19-14-12(10(3)15)13(16)17-8-18-14;1-2/h8-9,11,15H,4-7H2,1-3H3,(H3,16,17,18,19);1-2H3/b15-10+;
InChIKeyXEGMZOITHCBULJ-GYVLLFFHSA-N
MW306.46 g/mol
LogP2.76
Rot. Bonds4

About ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine

ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine (PubChem CID 143924892) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Nameethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine
PubChem CID143924892
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Nameethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCC.[H]/N=C(\C)c1c(N)ncnc1NC1CCN(C(C)C)CC1
InChIInChI=1S/C14H24N6.C2H6/c1-9(2)20-6-4-11(5-7-20)19-14-12(10(3)15)13(16)17-8-18-14;1-2/h8-9,11,15H,4-7H2,1-3H3,(H3,16,17,18,19);1-2H3/b15-10+;
InChIKeyXEGMZOITHCBULJ-GYVLLFFHSA-N
XLogP2.76
TPSA90.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 52.76
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

N,2-dicyclopropyl-5-methyl-6-(4-methyl-1-piperidinyl)-4-pyrimidinamine
CID 10236397
N,2-dicyclopropyl-5-methyl-6-(piperidin-1-yl)pyrimidin-4-amine
CID 44409558
N,2-dicyclopropyl-6-(4-ethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 44409651
N,2-dicyclopropyl-5-methyl-6-(4-methylenepiperidin-1-yl)pyrimidin-4-amine
CID 44409754
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

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine (CID 143924892) is ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine is CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCN(C(C)C)CC1.
What is the InChIKey of ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine?
The InChIKey is XEGMZOITHCBULJ-GYVLLFFHSA-N. The full InChI is InChI=1S/C14H24N6.C2H6/c1-9(2)20-6-4-11(5-7-20)19-14-12(10(3)15)13(16)17-8-18-14;1-2/h8-9,11,15H,4-7H2,1-3H3,(H3,16,17,18,19);1-2H3/b15-10+;.
What are the key properties of ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine?
ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine has a molecular weight of 306.46 g/mol, XLogP of 2.76, 4 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-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 143924892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).