N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine

C12H13N3O — CID 3936385

IUPACN-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccccc1CNc1ncccn1
InChIInChI=1S/C12H13N3O/c1-16-11-6-3-2-5-10(11)9-15-12-13-7-4-8-14-12/h2-8H,9H2,1H3,(H,13,14,15)
InChIKeySEKWQJWWUQIGFZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.10
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine

N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 3936385) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID3936385
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccccc1CNc1ncccn1
InChIInChI=1S/C12H13N3O/c1-16-11-6-3-2-5-10(11)9-15-12-13-7-4-8-14-12/h2-8H,9H2,1H3,(H,13,14,15)
InChIKeySEKWQJWWUQIGFZ-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine (CID 3936385) is N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine is COc1ccccc1CNc1ncccn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is SEKWQJWWUQIGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-11-6-3-2-5-10(11)9-15-12-13-7-4-8-14-12/h2-8H,9H2,1H3,(H,13,14,15).
What are the key properties of N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine?
N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 215.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 3936385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).