N-methyl-4-phenylmethoxypyrimidin-2-amine

C12H13N3O — CID 79018407

IUPACN-methyl-4-phenylmethoxypyrimidin-2-amine
SMILESCNc1nccc(OCc2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-13-12-14-8-7-11(15-12)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15)
InChIKeyPPFRAYUPDAVQMT-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.10
Rot. Bonds4

About N-methyl-4-phenylmethoxypyrimidin-2-amine

N-methyl-4-phenylmethoxypyrimidin-2-amine (PubChem CID 79018407) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-methyl-4-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenylmethoxypyrimidin-2-amine
PubChem CID79018407
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-methyl-4-phenylmethoxypyrimidin-2-amine
SMILESCNc1nccc(OCc2ccccc2)n1
InChIInChI=1S/C12H13N3O/c1-13-12-14-8-7-11(15-12)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15)
InChIKeyPPFRAYUPDAVQMT-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-methyl-4-phenylmethoxypyrimidin-2-amine?
The IUPAC name of N-methyl-4-phenylmethoxypyrimidin-2-amine (CID 79018407) is N-methyl-4-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for N-methyl-4-phenylmethoxypyrimidin-2-amine is CNc1nccc(OCc2ccccc2)n1.
What is the InChIKey of N-methyl-4-phenylmethoxypyrimidin-2-amine?
The InChIKey is PPFRAYUPDAVQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-12-14-8-7-11(15-12)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-4-phenylmethoxypyrimidin-2-amine?
N-methyl-4-phenylmethoxypyrimidin-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-methyl-4-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 79018407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).