N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine

C18H17N3O — CID 3233960

IUPACN-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nccc(NCc3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O/c1-22-16-9-5-8-15(12-16)18-19-11-10-17(21-18)20-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyXZICCNCHPZTBPK-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.76
Rot. Bonds5

About N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine

N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 3233960) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
PubChem CID3233960
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nccc(NCc3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O/c1-22-16-9-5-8-15(12-16)18-19-11-10-17(21-18)20-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyXZICCNCHPZTBPK-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62191311
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
1-[2-(3-methoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748257
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 46172986
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 44820593
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893824
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine (CID 3233960) is N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine is COc1cccc(-c2nccc(NCc3ccccc3)n2)c1.
What is the InChIKey of N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is XZICCNCHPZTBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-22-16-9-5-8-15(12-16)18-19-11-10-17(21-18)20-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,19,20,21).
What are the key properties of N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine?
N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3233960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).