4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C14H16ClFN4 — CID 80754783

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccc(F)c(Cl)c2)c1C(C)C
InChIInChI=1S/C14H16ClFN4/c1-8(2)12-13(17-3)18-7-19-14(12)20-9-4-5-11(16)10(15)6-9/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyOLDFJLQBJHBHFK-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.18
Rot. Bonds4

About 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80754783) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80754783
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccc(F)c(Cl)c2)c1C(C)C
InChIInChI=1S/C14H16ClFN4/c1-8(2)12-13(17-3)18-7-19-14(12)20-9-4-5-11(16)10(15)6-9/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyOLDFJLQBJHBHFK-UHFFFAOYSA-N
XLogP4.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-fluoro-3-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80824944
6-N-methyl-5-propan-2-yl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80803145
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
6-chloro-5-propan-2-yl-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 63730185
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80906889
N-(3-chloro-4-fluorophenyl)-6-methylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709246
4-N-(3-bromo-5-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 107580847
6-chloro-N-(3,4-dimethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735586
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849992
6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80754783) is 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(Nc2ccc(F)c(Cl)c2)c1C(C)C.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is OLDFJLQBJHBHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-8(2)12-13(17-3)18-7-19-14(12)20-9-4-5-11(16)10(15)6-9/h4-8H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 294.76 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80754783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).