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

C14H17ClN4O2 — CID 80748285

IUPAC4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H17ClN4O2/c1-4-8-13(16)17-7-18-14(8)19-10-6-11(20-2)9(15)5-12(10)21-3/h5-7H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyWOULXLKSDUAEMC-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.04
Rot. Bonds5

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

4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 80748285) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID80748285
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C14H17ClN4O2/c1-4-8-13(16)17-7-18-14(8)19-10-6-11(20-2)9(15)5-12(10)21-3/h5-7H,4H2,1-3H3,(H3,16,17,18,19)
InChIKeyWOULXLKSDUAEMC-UHFFFAOYSA-N
XLogP3.04
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762859
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 19152445
4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80769140
6-N-butyl-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19134919
4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80749225
6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine
CID 79711613
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149250
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 66340346
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863554

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine (CID 80748285) is 4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is WOULXLKSDUAEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-4-8-13(16)17-7-18-14(8)19-10-6-11(20-2)9(15)5-12(10)21-3/h5-7H,4H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 308.77 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80748285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).