5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine

C19H19ClN4O2 — CID 68647505

IUPAC5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(-c2nc(N)nc(N)c2-c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-3-26-13-7-4-11(5-8-13)17-16(18(21)24-19(22)23-17)12-6-9-15(25-2)14(20)10-12/h4-10H,3H2,1-2H3,(H4,21,22,23,24)
InChIKeyXRKSTXBTBGXMFT-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.04
Rot. Bonds5

About 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine

5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 68647505) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID68647505
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(-c2nc(N)nc(N)c2-c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-3-26-13-7-4-11(5-8-13)17-16(18(21)24-19(22)23-17)12-6-9-15(25-2)14(20)10-12/h4-10H,3H2,1-2H3,(H4,21,22,23,24)
InChIKeyXRKSTXBTBGXMFT-UHFFFAOYSA-N
XLogP4.04
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-6-(4-ethoxyphenyl)pyridin-2-amine
CID 102752955
5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine
CID 69344212
4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 58626180
5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 68647736
2-chloro-4-(4-ethoxyphenyl)aniline
CID 107607643
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455
3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine
CID 102753063
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82476965
5-chloro-4-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733709
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine (CID 68647505) is 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine is CCOc1ccc(-c2nc(N)nc(N)c2-c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is XRKSTXBTBGXMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-3-26-13-7-4-11(5-8-13)17-16(18(21)24-19(22)23-17)12-6-9-15(25-2)14(20)10-12/h4-10H,3H2,1-2H3,(H4,21,22,23,24).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 370.84 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68647505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).