4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine

C18H27N5 — CID 154125264

IUPAC4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine
SMILESCC1=C(C)C(N)(C2CCCCC2)N/C(=N/Cc2ccccn2)N1
InChIInChI=1S/C18H27N5/c1-13-14(2)22-17(21-12-16-10-6-7-11-20-16)23-18(13,19)15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9,12,19H2,1-2H3,(H2,21,22,23)
InChIKeyCOTXRKILOAHIQX-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.66
Rot. Bonds3

About 4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine

4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine (PubChem CID 154125264) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine
PubChem CID154125264
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine
SMILESCC1=C(C)C(N)(C2CCCCC2)N/C(=N/Cc2ccccn2)N1
InChIInChI=1S/C18H27N5/c1-13-14(2)22-17(21-12-16-10-6-7-11-20-16)23-18(13,19)15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9,12,19H2,1-2H3,(H2,21,22,23)
InChIKeyCOTXRKILOAHIQX-UHFFFAOYSA-N
XLogP2.66
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine?
The IUPAC name of 4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine (CID 154125264) is 4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine.
What is the SMILES notation for 4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine?
The canonical SMILES for 4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine is CC1=C(C)C(N)(C2CCCCC2)N/C(=N/Cc2ccccn2)N1.
What is the InChIKey of 4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine?
The InChIKey is COTXRKILOAHIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-13-14(2)22-17(21-12-16-10-6-7-11-20-16)23-18(13,19)15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9,12,19H2,1-2H3,(H2,21,22,23).
What are the key properties of 4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine?
4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5,6-dimethyl-2-(pyridin-2-ylmethylimino)-1,3-dihydropyrimidin-4-amine is sourced from PubChem (CID 154125264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).