4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine

C18H21N5O — CID 129086061

IUPAC4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine
SMILESCOC1CCC(Nc2nccc(-n3cnc4ccccc43)n2)CC1
InChIInChI=1S/C18H21N5O/c1-24-14-8-6-13(7-9-14)21-18-19-11-10-17(22-18)23-12-20-15-4-2-3-5-16(15)23/h2-5,10-14H,6-9H2,1H3,(H,19,21,22)
InChIKeyFETVSVYRUZPIRW-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.18
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine

4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine (PubChem CID 129086061) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine
PubChem CID129086061
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine
SMILESCOC1CCC(Nc2nccc(-n3cnc4ccccc43)n2)CC1
InChIInChI=1S/C18H21N5O/c1-24-14-8-6-13(7-9-14)21-18-19-11-10-17(22-18)23-12-20-15-4-2-3-5-16(15)23/h2-5,10-14H,6-9H2,1H3,(H,19,21,22)
InChIKeyFETVSVYRUZPIRW-UHFFFAOYSA-N
XLogP3.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine (CID 129086061) is 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine is COC1CCC(Nc2nccc(-n3cnc4ccccc43)n2)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine?
The InChIKey is FETVSVYRUZPIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-14-8-6-13(7-9-14)21-18-19-11-10-17(22-18)23-12-20-15-4-2-3-5-16(15)23/h2-5,10-14H,6-9H2,1H3,(H,19,21,22).
What are the key properties of 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine?
4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(4-methoxycyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 129086061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).