4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine

C12H19N5 — CID 143087712

IUPAC4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine
SMILES[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C12H19N5/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17)/b13-8+
InChIKeyCHPALZPGMIROMK-MDWZMJQESA-N
MW233.32 g/mol
LogP2.19
Rot. Bonds3

About 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine

4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine (PubChem CID 143087712) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine
PubChem CID143087712
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine
SMILES[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C12H19N5/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17)/b13-8+
InChIKeyCHPALZPGMIROMK-MDWZMJQESA-N
XLogP2.19
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine (CID 143087712) is 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine is [H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1.
What is the InChIKey of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine?
The InChIKey is CHPALZPGMIROMK-MDWZMJQESA-N. The full InChI is InChI=1S/C12H19N5/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17)/b13-8+.
What are the key properties of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine?
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine has a molecular weight of 233.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine is sourced from PubChem (CID 143087712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).