cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine

C20H28N4 — CID 143249050

IUPACcyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine
SMILESC1CCCCC1.Cc1cccc(C/N=C/c2c(C)ncnc2N)c1
InChIInChI=1S/C14H16N4.C6H12/c1-10-4-3-5-12(6-10)7-16-8-13-11(2)17-9-18-14(13)15;1-2-4-6-5-3-1/h3-6,8-9H,7H2,1-2H3,(H2,15,17,18);1-6H2/b16-8+;
InChIKeyRPEVYPLPEVDYLG-OHGISNTKSA-N
MW324.47 g/mol
LogP4.64
Rot. Bonds3

About cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine

cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine (PubChem CID 143249050) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Namecyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine
PubChem CID143249050
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Namecyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine
SMILESC1CCCCC1.Cc1cccc(C/N=C/c2c(C)ncnc2N)c1
InChIInChI=1S/C14H16N4.C6H12/c1-10-4-3-5-12(6-10)7-16-8-13-11(2)17-9-18-14(13)15;1-2-4-6-5-3-1/h3-6,8-9H,7H2,1-2H3,(H2,15,17,18);1-6H2/b16-8+;
InChIKeyRPEVYPLPEVDYLG-OHGISNTKSA-N
XLogP4.64
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
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 cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine?
The IUPAC name of cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine (CID 143249050) is cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine.
What is the SMILES notation for cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine?
The canonical SMILES for cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine is C1CCCCC1.Cc1cccc(C/N=C/c2c(C)ncnc2N)c1.
What is the InChIKey of cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine?
The InChIKey is RPEVYPLPEVDYLG-OHGISNTKSA-N. The full InChI is InChI=1S/C14H16N4.C6H12/c1-10-4-3-5-12(6-10)7-16-8-13-11(2)17-9-18-14(13)15;1-2-4-6-5-3-1/h3-6,8-9H,7H2,1-2H3,(H2,15,17,18);1-6H2/b16-8+;.
What are the key properties of cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine?
cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;6-methyl-5-[(3-methylphenyl)methyliminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 143249050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).