5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

C19H20ClN5O2 — CID 67962528

IUPAC5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCNc1cc(OC)ccc1Nc1nc(Nc2ccccc2OC)ncc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-21-16-10-12(26-2)8-9-14(16)23-18-13(20)11-22-19(25-18)24-15-6-4-5-7-17(15)27-3/h4-11,21H,1-3H3,(H2,22,23,24,25)
InChIKeySRLODHHZMKYFOD-UHFFFAOYSA-N
MW385.86 g/mol
LogP4.68
Rot. Bonds7

About 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 67962528) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID67962528
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCNc1cc(OC)ccc1Nc1nc(Nc2ccccc2OC)ncc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-21-16-10-12(26-2)8-9-14(16)23-18-13(20)11-22-19(25-18)24-15-6-4-5-7-17(15)27-3/h4-11,21H,1-3H3,(H2,22,23,24,25)
InChIKeySRLODHHZMKYFOD-UHFFFAOYSA-N
XLogP4.68
TPSA80.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-4-N-[2-(cyclobutylamino)sulfanylphenyl]-2-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 143003172
5-chloro-2-N-(5-ethoxy-2-methoxyphenyl)-4-N-[2-(methylaminosulfanyl)phenyl]pyrimidine-2,4-diamine
CID 143003191
2-[[5-chloro-2-(2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinic acid
CID 130296059
5-chloro-4-N-[2-(cyclobutylamino)sulfanylphenyl]-2-N-(2,4-dimethoxyphenyl)pyrimidine-2,4-diamine;1-methylpyrrolidine
CID 143003171
5-chloro-4-N-[2-[2-[[5-chloro-2-(2-methoxy-4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 155142747
1-[3-[[5-chloro-4-[4-methyl-2-(methylamino)anilino]pyrimidin-2-yl]amino]-2-methylphenoxy]propan-2-ol
CID 67962547
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
5-chloro-4-N-(2-dimethylphosphanyloxyphenyl)-2-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 175543402
2-[[2-(5-amino-2-methoxyanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzamide
CID 67468507
5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763611
2-[3-[[5-chloro-4-[4-methyl-2-(methylamino)anilino]pyrimidin-2-yl]amino]-2-methylphenoxy]acetamide
CID 67962546
1-[2-[[2-(5-amino-2-methoxyanilino)-5-chloropyrimidin-4-yl]amino]phenyl]ethanol
CID 118601808

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (CID 67962528) is 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is CNc1cc(OC)ccc1Nc1nc(Nc2ccccc2OC)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is SRLODHHZMKYFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-21-16-10-12(26-2)8-9-14(16)23-18-13(20)11-22-19(25-18)24-15-6-4-5-7-17(15)27-3/h4-11,21H,1-3H3,(H2,22,23,24,25).
What are the key properties of 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 385.86 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67962528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).