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

C14H16ClFN4 — CID 107371100

IUPAC4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(F)cc(Cl)c2)nc(C(C)C)n1
InChIInChI=1S/C14H16ClFN4/c1-8(2)14-19-12(17-3)7-13(20-14)18-11-5-9(15)4-10(16)6-11/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyBPECTJKPIQEZAV-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.18
Rot. Bonds4

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

4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107371100) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107371100
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cc(F)cc(Cl)c2)nc(C(C)C)n1
InChIInChI=1S/C14H16ClFN4/c1-8(2)14-19-12(17-3)7-13(20-14)18-11-5-9(15)4-10(16)6-11/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyBPECTJKPIQEZAV-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-(3-chloro-5-fluorophenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 107371108
6-N-methyl-2-propan-2-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80956479
4-N-(3,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956276
4-N-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107580802
4-N-[3-chloro-5-(trifluoromethyl)phenyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 116701005
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647
6-chloro-N-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 107368827
6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951424
2-chloro-N-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 107368848
6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952716
4-N-(2,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955466
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 107371100) is 4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(Nc2cc(F)cc(Cl)c2)nc(C(C)C)n1.
What is the InChIKey of 4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BPECTJKPIQEZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-8(2)14-19-12(17-3)7-13(20-14)18-11-5-9(15)4-10(16)6-11/h4-8H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-chloro-5-fluorophenyl)-6-N-methyl-2-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-5-fluorophenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107371100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).