N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine

C13H14ClN3 — CID 65029267

IUPACN-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC(CCl)c2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c1-10-7-8-15-13(16-10)17-12(9-14)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,15,16,17)
InChIKeySVUBWKQPTDJLOB-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.18
Rot. Bonds4

About N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine

N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine (PubChem CID 65029267) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine
PubChem CID65029267
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC(CCl)c2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c1-10-7-8-15-13(16-10)17-12(9-14)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,15,16,17)
InChIKeySVUBWKQPTDJLOB-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one
CID 70811148
N-methyl-2-(4-methylpyrimidin-2-yl)-1-phenylethanamine
CID 63199814
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 115637582
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
CID 112637466
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine
CID 65029432
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383
1-benzhydryl-3-(4-methylpyrimidin-2-yl)thiourea
CID 100559570

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine (CID 65029267) is N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine is Cc1ccnc(NC(CCl)c2ccccc2)n1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine?
The InChIKey is SVUBWKQPTDJLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-10-7-8-15-13(16-10)17-12(9-14)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3,(H,15,16,17).
What are the key properties of N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine?
N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 65029267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).