N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C16H21N3 — CID 62201721

IUPACN-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCCNc1ccnc(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H21N3/c1-5-7-17-14-6-8-18-16(19-14)15-12(3)9-11(2)10-13(15)4/h6,8-10H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyPOFYVIXTNDPESW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.89
Rot. Bonds4

About N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 62201721) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID62201721
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCCNc1ccnc(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H21N3/c1-5-7-17-14-6-8-18-16(19-14)15-12(3)9-11(2)10-13(15)4/h6,8-10H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyPOFYVIXTNDPESW-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 62201721) is N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is CCCNc1ccnc(-c2c(C)cc(C)cc2C)n1.
What is the InChIKey of N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is POFYVIXTNDPESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-7-17-14-6-8-18-16(19-14)15-12(3)9-11(2)10-13(15)4/h6,8-10H,5,7H2,1-4H3,(H,17,18,19).
What are the key properties of N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62201721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).