2-propyl-N-(pyrimidin-2-ylmethyl)aniline

C14H17N3 — CID 62700857

IUPAC2-propyl-N-(pyrimidin-2-ylmethyl)aniline
SMILESCCCc1ccccc1NCc1ncccn1
InChIInChI=1S/C14H17N3/c1-2-6-12-7-3-4-8-13(12)17-11-14-15-9-5-10-16-14/h3-5,7-10,17H,2,6,11H2,1H3
InChIKeyQJBASGNOYCASCR-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.04
Rot. Bonds5

About 2-propyl-N-(pyrimidin-2-ylmethyl)aniline

2-propyl-N-(pyrimidin-2-ylmethyl)aniline (PubChem CID 62700857) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-propyl-N-(pyrimidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-propyl-N-(pyrimidin-2-ylmethyl)aniline
PubChem CID62700857
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-propyl-N-(pyrimidin-2-ylmethyl)aniline
SMILESCCCc1ccccc1NCc1ncccn1
InChIInChI=1S/C14H17N3/c1-2-6-12-7-3-4-8-13(12)17-11-14-15-9-5-10-16-14/h3-5,7-10,17H,2,6,11H2,1H3
InChIKeyQJBASGNOYCASCR-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
2-bromo-N-(pyrimidin-2-ylmethyl)aniline
CID 62699905
N-(2-fluoroethyl)-2-propylaniline
CID 80695673
2-[(2-propylanilino)methyl]benzoic acid
CID 103246196
N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
CID 43687256
N-[(3-methylphenyl)methyl]-2-propylaniline
CID 43432338
3-chloro-2-[(2-propylanilino)methyl]phenol
CID 114317993
2-propyl-N-(4,4,4-trifluorobutyl)aniline
CID 113326332
2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide
CID 60749011
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80807590
phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone
CID 119051507

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(pyrimidin-2-ylmethyl)aniline?
The IUPAC name of 2-propyl-N-(pyrimidin-2-ylmethyl)aniline (CID 62700857) is 2-propyl-N-(pyrimidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-propyl-N-(pyrimidin-2-ylmethyl)aniline?
The canonical SMILES for 2-propyl-N-(pyrimidin-2-ylmethyl)aniline is CCCc1ccccc1NCc1ncccn1.
What is the InChIKey of 2-propyl-N-(pyrimidin-2-ylmethyl)aniline?
The InChIKey is QJBASGNOYCASCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-6-12-7-3-4-8-13(12)17-11-14-15-9-5-10-16-14/h3-5,7-10,17H,2,6,11H2,1H3.
What are the key properties of 2-propyl-N-(pyrimidin-2-ylmethyl)aniline?
2-propyl-N-(pyrimidin-2-ylmethyl)aniline has a molecular weight of 227.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(pyrimidin-2-ylmethyl)aniline is sourced from PubChem (CID 62700857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).