N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine

C18H17N3O — CID 697240

IUPACN-benzyl-4-methyl-6-phenoxypyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H17N3O/c1-14-12-17(22-16-10-6-3-7-11-16)21-18(20-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyHQUWRJBESLQPBK-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.19
Rot. Bonds5

About N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine

N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine (PubChem CID 697240) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-6-phenoxypyrimidin-2-amine
PubChem CID697240
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-benzyl-4-methyl-6-phenoxypyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H17N3O/c1-14-12-17(22-16-10-6-3-7-11-16)21-18(20-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyHQUWRJBESLQPBK-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine?
The IUPAC name of N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine (CID 697240) is N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine is Cc1cc(Oc2ccccc2)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine?
The InChIKey is HQUWRJBESLQPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14-12-17(22-16-10-6-3-7-11-16)21-18(20-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,19,20,21).
What are the key properties of N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine?
N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine has a molecular weight of 291.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-6-phenoxypyrimidin-2-amine is sourced from PubChem (CID 697240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).