4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine

C14H17ClN4O3 — CID 19152445

IUPAC4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2cc(Cl)c(OC)cc2OC)c1N
InChIInChI=1S/C14H17ClN4O3/c1-4-22-14-12(16)13(17-7-18-14)19-9-5-8(15)10(20-2)6-11(9)21-3/h5-7H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyNPLLOYZDLVQDOZ-UHFFFAOYSA-N
MW324.77 g/mol
LogP2.87
Rot. Bonds6

About 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine

4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine (PubChem CID 19152445) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine
PubChem CID19152445
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2cc(Cl)c(OC)cc2OC)c1N
InChIInChI=1S/C14H17ClN4O3/c1-4-22-14-12(16)13(17-7-18-14)19-9-5-8(15)10(20-2)6-11(9)21-3/h5-7H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyNPLLOYZDLVQDOZ-UHFFFAOYSA-N
XLogP2.87
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149250
6-N-butyl-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19134919
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(5-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547319
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19153374
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148297
6-(azepan-1-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 19137931
4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-3-chlorobenzonitrile
CID 107806981
4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80748285
6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145756
4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine
CID 104725895
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22543090
3-bromo-2-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-2,5-diamine
CID 79532276

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine (CID 19152445) is 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine is CCOc1ncnc(Nc2cc(Cl)c(OC)cc2OC)c1N.
What is the InChIKey of 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is NPLLOYZDLVQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-4-22-14-12(16)13(17-7-18-14)19-9-5-8(15)10(20-2)6-11(9)21-3/h5-7H,4,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine?
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 324.77 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 19152445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).