4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

C14H16ClFN4O — CID 80737026

IUPAC4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H16ClFN4O/c1-3-6-17-14-18-8-10(16)13(20-14)19-11-7-9(15)4-5-12(11)21-2/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyODNNDQRVJWZYIN-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.84
Rot. Bonds6

About 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80737026) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
PubChem CID80737026
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H16ClFN4O/c1-3-6-17-14-18-8-10(16)13(20-14)19-11-7-9(15)4-5-12(11)21-2/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyODNNDQRVJWZYIN-UHFFFAOYSA-N
XLogP3.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773415
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80767862
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
5-chloro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773272
5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
5-bromo-4-N-(5-bromo-2-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80785165
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
4-N-(2-bromo-5-chlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 81271743
5-chloro-4-N-(2,4-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759449
4-N-(2-fluoro-5-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80838232
4-N-(3-bromo-4-fluorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 104781958
4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80736524

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (CID 80737026) is 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is ODNNDQRVJWZYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-3-6-17-14-18-8-10(16)13(20-14)19-11-7-9(15)4-5-12(11)21-2/h4-5,7-8H,3,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 310.76 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80737026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).