4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

C14H16ClFN4 — CID 80779766

IUPAC4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN4/c1-3-4-10-13(17-2)18-8-19-14(10)20-12-7-9(15)5-6-11(12)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyGZKXQMCBHHPQOL-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.01
Rot. Bonds5

About 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80779766) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80779766
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN4/c1-3-4-10-13(17-2)18-8-19-14(10)20-12-7-9(15)5-6-11(12)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyGZKXQMCBHHPQOL-UHFFFAOYSA-N
XLogP4.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80773429
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963
4-N-(4-bromo-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80759951
4-N-(2,6-difluoro-3-methylphenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 82803367
5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80854900
4-N-(3,5-difluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80762442
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-(2,5-dichlorophenyl)sulfanyl-N-methyl-5-propylpyrimidin-4-amine
CID 80884347
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074
4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80778536
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80779766) is 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1Nc1cc(Cl)ccc1F.
What is the InChIKey of 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is GZKXQMCBHHPQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-3-4-10-13(17-2)18-8-19-14(10)20-12-7-9(15)5-6-11(12)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 294.76 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-fluorophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80779766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).