5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine

C17H16ClN5O — CID 155665823

IUPAC5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)ccn1
InChIInChI=1S/C17H16ClN5O/c1-11-5-3-4-6-14(11)22-16-13(18)10-20-17(23-16)21-12-7-8-19-15(9-12)24-2/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeySNYJZDUOFHESPH-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.33
Rot. Bonds5

About 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine

5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 155665823) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID155665823
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)ccn1
InChIInChI=1S/C17H16ClN5O/c1-11-5-3-4-6-14(11)22-16-13(18)10-20-17(23-16)21-12-7-8-19-15(9-12)24-2/h3-10H,1-2H3,(H2,19,20,21,22,23)
InChIKeySNYJZDUOFHESPH-UHFFFAOYSA-N
XLogP4.33
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 155665811
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
5-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 22060421
1-[4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]phenyl]ethanone
CID 143694729
4-[4-[[5-chloro-4-(2-methylanilino)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]benzamide
CID 143694634
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
2-N-(3,4-dimethoxy-5-methylphenyl)-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine;ethane;molecular hydrogen;hydrate
CID 143878744
5-chloro-2-N-(2,4-dimethylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine;2-N-(2,4-dimethylphenyl)-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine;bis(2-N-(2,4-dimethylphenyl)-4-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine);ethane
CID 159565488
5-chloro-4-N-[4-methoxy-2-(methylamino)phenyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 67962528
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
N-[3-[[5-chloro-2-(4-methoxy-3,5-dimethylanilino)pyrimidin-4-yl]amino]-2-methylphenyl]cyclopropanesulfonamide
CID 25073489
[2-[[5-chloro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 90835460

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (CID 155665823) is 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)ccn1.
What is the InChIKey of 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SNYJZDUOFHESPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-5-3-4-6-14(11)22-16-13(18)10-20-17(23-16)21-12-7-8-19-15(9-12)24-2/h3-10H,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 341.80 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(2-methoxy-4-pyridinyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155665823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).