N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine

C18H17N3O — CID 3235349

IUPACN-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NCc3ccccc3)ncn2)c1
InChIInChI=1S/C18H17N3O/c1-22-16-9-5-8-15(10-16)17-11-18(21-13-20-17)19-12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,19,20,21)
InChIKeyLMEAZZNOUQIIPL-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.76
Rot. Bonds5

About N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine

N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 3235349) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine
PubChem CID3235349
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NCc3ccccc3)ncn2)c1
InChIInChI=1S/C18H17N3O/c1-22-16-9-5-8-15(10-16)17-11-18(21-13-20-17)19-12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,19,20,21)
InChIKeyLMEAZZNOUQIIPL-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

CID 11351021
CID 11351021
CID 16739650
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CID 25104564
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CID 6926621
CID 6926621
CID 5328015
CID 5328015
CID 9950868
CID 9950868
CID 509554
CID 509554
CID 11210285
CID 11210285
CID 101067
CID 101067
CID 57149549
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CID 57149550
CID 57149550
CID 5329484
CID 5329484

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine (CID 3235349) is N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine is COc1cccc(-c2cc(NCc3ccccc3)ncn2)c1.
What is the InChIKey of N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is LMEAZZNOUQIIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-22-16-9-5-8-15(10-16)17-11-18(21-13-20-17)19-12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,19,20,21).
What are the key properties of N-benzyl-6-(3-methoxyphenyl)pyrimidin-4-amine?
N-benzyl-6-(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-6-(3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3235349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).