N-methyl-6-phenyl-2-propylpyrimidin-4-amine

C14H17N3 — CID 55045530

IUPACN-methyl-6-phenyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-3-7-13-16-12(10-14(15-2)17-13)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,15,16,17)
InChIKeyPIQFPCWWYNBBTH-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.14
Rot. Bonds4

About N-methyl-6-phenyl-2-propylpyrimidin-4-amine

N-methyl-6-phenyl-2-propylpyrimidin-4-amine (PubChem CID 55045530) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-6-phenyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-phenyl-2-propylpyrimidin-4-amine
PubChem CID55045530
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-methyl-6-phenyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-3-7-13-16-12(10-14(15-2)17-13)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,15,16,17)
InChIKeyPIQFPCWWYNBBTH-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-phenyl-2-propylpyrimidin-4-amine (CID 55045530) is N-methyl-6-phenyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-phenyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-phenyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-6-phenyl-2-propylpyrimidin-4-amine?
The InChIKey is PIQFPCWWYNBBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-7-13-16-12(10-14(15-2)17-13)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-6-phenyl-2-propylpyrimidin-4-amine?
N-methyl-6-phenyl-2-propylpyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-phenyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 55045530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).