5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine

C20H20Cl2N4O2 — CID 11015286

IUPAC5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C20H20Cl2N4O2/c1-3-15-18(19(23)26-20(24)25-15)11-5-7-16(17(8-11)27-2)28-10-12-4-6-13(21)9-14(12)22/h4-9H,3,10H2,1-2H3,(H4,23,24,25,26)
InChIKeyCOLNPIYVAKVLJG-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.76
Rot. Bonds6

About 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine

5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine (PubChem CID 11015286) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine
PubChem CID11015286
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C20H20Cl2N4O2/c1-3-15-18(19(23)26-20(24)25-15)11-5-7-16(17(8-11)27-2)28-10-12-4-6-13(21)9-14(12)22/h4-9H,3,10H2,1-2H3,(H4,23,24,25,26)
InChIKeyCOLNPIYVAKVLJG-UHFFFAOYSA-N
XLogP4.76
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-Chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
CID 10927461
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 10172601
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 10287141
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 10309295
5-(3-Chlorophenyl)-6-(5-phenoxypentyl)pyrimidine-2,4-diamine;hydrochloride
CID 155512559
Ethyl 4-[2-[2-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]ethyl]phenoxy]butanoate;hydrochloride
CID 155517476
5-(3-Chlorophenyl)-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride
CID 155527394
6-(4-Phenoxybutyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155544485
5-(3-Chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine;hydrochloride
CID 155550798
5-(3-Chlorophenyl)-6-(4-phenoxybutyl)pyrimidine-2,4-diamine;hydrochloride
CID 155557612
2-Chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
CID 2058821
N-[4-(4-Chloro-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-N'-[1-(3,4-dimethoxy-phenyl)-eth-(Z)-ylidene]-hydrazine
CID 5774564

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine (CID 11015286) is 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine?
The InChIKey is COLNPIYVAKVLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-3-15-18(19(23)26-20(24)25-15)11-5-7-16(17(8-11)27-2)28-10-12-4-6-13(21)9-14(12)22/h4-9H,3,10H2,1-2H3,(H4,23,24,25,26).
What are the key properties of 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine?
5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine has a molecular weight of 419.31 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 11015286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).