4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine

C17H21N3O — CID 745958

IUPAC4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine
SMILESCOC1(c2cc(-c3ccccc3)nc(N)n2)CCCCC1
InChIInChI=1S/C17H21N3O/c1-21-17(10-6-3-7-11-17)15-12-14(19-16(18)20-15)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,20)
InChIKeyCKNOIXVHHUOVAW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.53
Rot. Bonds3

About 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine

4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine (PubChem CID 745958) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine
PubChem CID745958
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine
SMILESCOC1(c2cc(-c3ccccc3)nc(N)n2)CCCCC1
InChIInChI=1S/C17H21N3O/c1-21-17(10-6-3-7-11-17)15-12-14(19-16(18)20-15)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,20)
InChIKeyCKNOIXVHHUOVAW-UHFFFAOYSA-N
XLogP3.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine (CID 745958) is 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine is COC1(c2cc(-c3ccccc3)nc(N)n2)CCCCC1.
What is the InChIKey of 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine?
The InChIKey is CKNOIXVHHUOVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17(10-6-3-7-11-17)15-12-14(19-16(18)20-15)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine?
4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxycyclohexyl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 745958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).