3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine

C15H19N3 — CID 28916529

IUPAC3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
SMILESCc1nc(-c2ccccc2)nc(C)c1CCCN
InChIInChI=1S/C15H19N3/c1-11-14(9-6-10-16)12(2)18-15(17-11)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10,16H2,1-2H3
InChIKeyVPMVQRDYGZYZMX-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.65
Rot. Bonds4

About 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine

3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine (PubChem CID 28916529) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
PubChem CID28916529
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine
SMILESCc1nc(-c2ccccc2)nc(C)c1CCCN
InChIInChI=1S/C15H19N3/c1-11-14(9-6-10-16)12(2)18-15(17-11)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10,16H2,1-2H3
InChIKeyVPMVQRDYGZYZMX-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimethanil
CID 91650
Cyprodinil
CID 86367
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-Phenylpyrimidine
CID 18923
4,6-Diphenylpyrimidin-2-amine
CID 619024
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine (CID 28916529) is 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine is Cc1nc(-c2ccccc2)nc(C)c1CCCN.
What is the InChIKey of 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine?
The InChIKey is VPMVQRDYGZYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-14(9-6-10-16)12(2)18-15(17-11)13-7-4-3-5-8-13/h3-5,7-8H,6,9-10,16H2,1-2H3.
What are the key properties of 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine?
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 28916529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).