(2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine

C13H20N4 — CID 163662251

IUPAC(2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine
SMILES[H]/N=C1/C(C(N)c2ccncn2)CCCC1(C)C
InChIInChI=1S/C13H20N4/c1-13(2)6-3-4-9(12(13)15)11(14)10-5-7-16-8-17-10/h5,7-9,11,15H,3-4,6,14H2,1-2H3/b15-12-
InChIKeyIVKABUKNICYZGT-QINSGFPZSA-N
MW232.33 g/mol
LogP2.32
Rot. Bonds2

About (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine

(2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine (PubChem CID 163662251) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Name(2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine
PubChem CID163662251
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine
SMILES[H]/N=C1/C(C(N)c2ccncn2)CCCC1(C)C
InChIInChI=1S/C13H20N4/c1-13(2)6-3-4-9(12(13)15)11(14)10-5-7-16-8-17-10/h5,7-9,11,15H,3-4,6,14H2,1-2H3/b15-12-
InChIKeyIVKABUKNICYZGT-QINSGFPZSA-N
XLogP2.32
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine?
The IUPAC name of (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine (CID 163662251) is (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine.
What is the SMILES notation for (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine?
The canonical SMILES for (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine is [H]/N=C1/C(C(N)c2ccncn2)CCCC1(C)C.
What is the InChIKey of (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine?
The InChIKey is IVKABUKNICYZGT-QINSGFPZSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(2)6-3-4-9(12(13)15)11(14)10-5-7-16-8-17-10/h5,7-9,11,15H,3-4,6,14H2,1-2H3/b15-12-.
What are the key properties of (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine?
(2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine has a molecular weight of 232.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imino-3,3-dimethylcyclohexyl)-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 163662251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).