N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

C16H19ClFN3 — CID 62944754

IUPACN-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2ccc(F)cc2Cl)nc(C)c1CNC(C)C
InChIInChI=1S/C16H19ClFN3/c1-9(2)19-8-14-10(3)20-16(21-11(14)4)13-6-5-12(18)7-15(13)17/h5-7,9,19H,8H2,1-4H3
InChIKeyNUHXLJHFWWMWNT-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.05
Rot. Bonds4

About N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine

N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 62944754) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
PubChem CID62944754
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC NameN-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2ccc(F)cc2Cl)nc(C)c1CNC(C)C
InChIInChI=1S/C16H19ClFN3/c1-9(2)19-8-14-10(3)20-16(21-11(14)4)13-6-5-12(18)7-15(13)17/h5-7,9,19H,8H2,1-4H3
InChIKeyNUHXLJHFWWMWNT-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62944595
4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine
CID 62944331
N-[[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 63089028
N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 107915641
N-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]propan-2-amine
CID 115504916
N-[[2-(2-bromophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 62746192
N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 103445354
N-[[2-(3-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 66424703
2,4-dichloro-6-(2-chloro-4-fluorophenyl)-1,3,5-triazine
CID 115504981
N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 105395728
2-(2-chloro-4-fluorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740085
4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
CID 62944668

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine (CID 62944754) is N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(-c2ccc(F)cc2Cl)nc(C)c1CNC(C)C.
What is the InChIKey of N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is NUHXLJHFWWMWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-9(2)19-8-14-10(3)20-16(21-11(14)4)13-6-5-12(18)7-15(13)17/h5-7,9,19H,8H2,1-4H3.
What are the key properties of N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine?
N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62944754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).