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

C18H34N6O — CID 143087711

IUPAC4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine
SMILESC1COCCN1.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C12H19N5.C4H9NO.C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9;1-3-6-4-2-5-1;1-2/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17);5H,1-4H2;1-2H3/b13-8+;;
InChIKeyIHQYPQZQMHMJMB-LIYVDSPJSA-N
MW350.51 g/mol
LogP2.82
Rot. Bonds3

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

4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine (PubChem CID 143087711) has the molecular formula C18H34N6O and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine
PubChem CID143087711
Molecular FormulaC18H34N6O
Molecular Weight350.51 g/mol
Exact Mass350.28
IUPAC Name4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine
SMILESC1COCCN1.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C12H19N5.C4H9NO.C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9;1-3-6-4-2-5-1;1-2/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17);5H,1-4H2;1-2H3/b13-8+;;
InChIKeyIHQYPQZQMHMJMB-LIYVDSPJSA-N
XLogP2.82
TPSA108.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine
CID 145120459
4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]-N'-hydroxycyclohexane-1-carboximidamide
CID 143087704
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 145011201
tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 126660696
2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine
CID 89035296
5-(4-phenoxybenzenecarboximidoyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 145124668
4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 143074013
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
5-(2-amino-1,3-benzoxazole-5-carboximidoyl)-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 90763598
1H-indol-3-yl 4-amino-6-(cyclopentylamino)pyrimidine-5-carboximidothioate
CID 145372051
4-amino-6-[(1-methylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl bromide
CID 146520719
5-[4-(4-methoxyphenoxy)benzenecarboximidoyl]-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 145184698

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine?
The IUPAC name of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine (CID 143087711) is 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine.
What is the SMILES notation for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine?
The canonical SMILES for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine is C1COCCN1.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1.
What is the InChIKey of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine?
The InChIKey is IHQYPQZQMHMJMB-LIYVDSPJSA-N. The full InChI is InChI=1S/C12H19N5.C4H9NO.C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9;1-3-6-4-2-5-1;1-2/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17);5H,1-4H2;1-2H3/b13-8+;;.
What are the key properties of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine?
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine has a molecular weight of 350.51 g/mol, XLogP of 2.82, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine is sourced from PubChem (CID 143087711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).