1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine

C13H17N3 — CID 174926041

IUPAC1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine
SMILESCC(NC1=NCN(C)C=C1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11(12-6-4-3-5-7-12)15-13-8-9-16(2)10-14-13/h3-9,11H,10H2,1-2H3,(H,14,15)
InChIKeyXNTAQPZJWWSILI-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.15
Rot. Bonds2

About 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine

1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine (PubChem CID 174926041) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine
PubChem CID174926041
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine
SMILESCC(NC1=NCN(C)C=C1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11(12-6-4-3-5-7-12)15-13-8-9-16(2)10-14-13/h3-9,11H,10H2,1-2H3,(H,14,15)
InChIKeyXNTAQPZJWWSILI-UHFFFAOYSA-N
XLogP2.15
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine (CID 174926041) is 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine is CC(NC1=NCN(C)C=C1)c1ccccc1.
What is the InChIKey of 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine?
The InChIKey is XNTAQPZJWWSILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(12-6-4-3-5-7-12)15-13-8-9-16(2)10-14-13/h3-9,11H,10H2,1-2H3,(H,14,15).
What are the key properties of 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine?
1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-phenylethyl)-2H-pyrimidin-4-amine is sourced from PubChem (CID 174926041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).