2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine

C14H15ClFN3 — CID 63037745

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-2-6-17-13-5-7-18-14(19-13)8-10-3-4-11(16)9-12(10)15/h3-5,7,9H,2,6,8H2,1H3,(H,17,18,19)
InChIKeyIEELNSVKPZTLGI-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.68
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine

2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine (PubChem CID 63037745) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
PubChem CID63037745
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-2-6-17-13-5-7-18-14(19-13)8-10-3-4-11(16)9-12(10)15/h3-5,7,9H,2,6,8H2,1H3,(H,17,18,19)
InChIKeyIEELNSVKPZTLGI-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 66302468
2-[(2-chloro-4-fluorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 63036011
5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63486695
2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089264
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881814
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine
CID 62191844
2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79717957
5-bromo-2-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302862
5-chloro-6-[(2,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63273486
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
N-[[2-[(2,4-difluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 64561231

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine (CID 63037745) is 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine is CCCNc1ccnc(Cc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is IEELNSVKPZTLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-6-17-13-5-7-18-14(19-13)8-10-3-4-11(16)9-12(10)15/h3-5,7,9H,2,6,8H2,1H3,(H,17,18,19).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine?
2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63037745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).