6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine

C14H14ClF2N3 — CID 63790853

IUPAC6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1cc(F)ccc1F
InChIInChI=1S/C14H14ClF2N3/c1-2-3-11-13(15)19-8-20-14(11)18-7-9-6-10(16)4-5-12(9)17/h4-6,8H,2-3,7H2,1H3,(H,18,19,20)
InChIKeyZMRZURQDIVZTEE-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.97
Rot. Bonds5

About 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine

6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine (PubChem CID 63790853) has the molecular formula C14H14ClF2N3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
PubChem CID63790853
Molecular FormulaC14H14ClF2N3
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1cc(F)ccc1F
InChIInChI=1S/C14H14ClF2N3/c1-2-3-11-13(15)19-8-20-14(11)18-7-9-6-10(16)4-5-12(9)17/h4-6,8H,2-3,7H2,1H3,(H,18,19,20)
InChIKeyZMRZURQDIVZTEE-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-[(2,5-difluorophenyl)methylamino]pyrimidine-5-carbaldehyde
CID 66366956
N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
CID 106194274
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451
6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propylpyrimidin-4-amine
CID 114156495
N-(1,3-benzodioxol-4-ylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 106194190
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
6-chloro-N-[1-(3-fluorophenyl)ethyl]-5-propylpyrimidin-4-amine
CID 63730152
6-chloro-N-(3-fluoro-4-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 63728931
4-N-[(2,5-difluorophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80846346

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine (CID 63790853) is 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NCc1cc(F)ccc1F.
What is the InChIKey of 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine?
The InChIKey is ZMRZURQDIVZTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3/c1-2-3-11-13(15)19-8-20-14(11)18-7-9-6-10(16)4-5-12(9)17/h4-6,8H,2-3,7H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine?
6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine has a molecular weight of 297.74 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,5-difluorophenyl)methyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63790853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).