5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine

C14H15ClFN3 — CID 83184048

IUPAC5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)Cc2ccccc2F)ncc1CCl
InChIInChI=1S/C14H15ClFN3/c1-10-12(7-15)8-17-14(18-10)19(2)9-11-5-3-4-6-13(11)16/h3-6,8H,7,9H2,1-2H3
InChIKeyZXYXXONSGPIPIN-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.30
Rot. Bonds4

About 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine

5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 83184048) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID83184048
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1nc(N(C)Cc2ccccc2F)ncc1CCl
InChIInChI=1S/C14H15ClFN3/c1-10-12(7-15)8-17-14(18-10)19(2)9-11-5-3-4-6-13(11)16/h3-6,8H,7,9H2,1-2H3
InChIKeyZXYXXONSGPIPIN-UHFFFAOYSA-N
XLogP3.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
2-Benzyl-4-methylpyrimidine
CID 915660
4-Chloro-6-phenylpyrimidine
CID 593429
2-Chloro-4-phenylpyrimidine
CID 605356
4-(4-Chlorostyryl)pyrimidin-2-amine
CID 5713976
4-(2,6-Dichlorostyryl)pyrimidin-2-amine
CID 5713979
N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 462458
9-chloro-7-(2-fluorophenyl)-5H-pyrimido[5,4-d][2]benzazepine
CID 13225509

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine (CID 83184048) is 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine is Cc1nc(N(C)Cc2ccccc2F)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is ZXYXXONSGPIPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-10-12(7-15)8-17-14(18-10)19(2)9-11-5-3-4-6-13(11)16/h3-6,8H,7,9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 279.75 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83184048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).