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

C14H17ClN4O2 — CID 80749225

IUPAC4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2nc(C)nc(N)c2C)c(OC)cc1Cl
InChIInChI=1S/C14H17ClN4O2/c1-7-13(16)17-8(2)18-14(7)19-10-6-11(20-3)9(15)5-12(10)21-4/h5-6H,1-4H3,(H3,16,17,18,19)
InChIKeyQXXFRVTXVABCCI-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.09
Rot. Bonds4

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

4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80749225) 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)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80749225
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1cc(Nc2nc(C)nc(N)c2C)c(OC)cc1Cl
InChIInChI=1S/C14H17ClN4O2/c1-7-13(16)17-8(2)18-14(7)19-10-6-11(20-3)9(15)5-12(10)21-4/h5-6H,1-4H3,(H3,16,17,18,19)
InChIKeyQXXFRVTXVABCCI-UHFFFAOYSA-N
XLogP3.09
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763515
4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80769228
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethylpyridazin-3-amine
CID 63271923
4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80825346
4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80748285
N-(4-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80913116
4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 83082156
4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 81271742
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
CID 105367588
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822
4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763496

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80749225) is 4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine is COc1cc(Nc2nc(C)nc(N)c2C)c(OC)cc1Cl.
What is the InChIKey of 4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is QXXFRVTXVABCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-7-13(16)17-8(2)18-14(7)19-10-6-11(20-3)9(15)5-12(10)21-4/h5-6H,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 308.77 g/mol, XLogP of 3.09, 4 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)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80749225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).