6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine

C14H14Cl2FN3 — CID 80939443

IUPAC6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H14Cl2FN3/c1-2-3-13-19-12(16)7-14(20-13)18-8-9-4-5-11(17)10(15)6-9/h4-7H,2-3,8H2,1H3,(H,18,19,20)
InChIKeyPDNIUHVKFWDBOO-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.49
Rot. Bonds5

About 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine

6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 80939443) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
PubChem CID80939443
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H14Cl2FN3/c1-2-3-13-19-12(16)7-14(20-13)18-8-9-4-5-11(17)10(15)6-9/h4-7H,2-3,8H2,1H3,(H,18,19,20)
InChIKeyPDNIUHVKFWDBOO-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
4-[(3-chloro-4-fluorophenyl)methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136975453
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
2-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562561
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80945762

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine (CID 80939443) is 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NCc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is PDNIUHVKFWDBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c1-2-3-13-19-12(16)7-14(20-13)18-8-9-4-5-11(17)10(15)6-9/h4-7H,2-3,8H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine?
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 314.19 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).