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

C19H19ClN4O2 — CID 58626180

IUPAC4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(-c2cc(Nc3ccc(OC)c(Cl)c3)nc(N)n2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-3-26-14-7-4-12(5-8-14)16-11-18(24-19(21)23-16)22-13-6-9-17(25-2)15(20)10-13/h4-11H,3H2,1-2H3,(H3,21,22,23,24)
InChIKeyLPBVIWIAVKRHJD-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.53
Rot. Bonds6

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

4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 58626180) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID58626180
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(-c2cc(Nc3ccc(OC)c(Cl)c3)nc(N)n2)cc1
InChIInChI=1S/C19H19ClN4O2/c1-3-26-14-7-4-12(5-8-14)16-11-18(24-19(21)23-16)22-13-6-9-17(25-2)15(20)10-13/h4-11H,3H2,1-2H3,(H3,21,22,23,24)
InChIKeyLPBVIWIAVKRHJD-UHFFFAOYSA-N
XLogP4.53
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80762923
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 68647505
6-chloro-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 62480912
4-N-(3-chloro-4-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932590
4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596
N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
CID 135704446
4-N-(3-bromo-4-methoxyphenyl)-6-chloropyrimidine-2,4-diamine
CID 78955869
4-N-(3-chloro-4-methoxyphenyl)-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872728
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380
4-N-(3-chloro-4-methoxyphenyl)-6-N-(3-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877975
6-N-(3-chloro-4-methoxyphenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875685

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine (CID 58626180) is 4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine is CCOc1ccc(-c2cc(Nc3ccc(OC)c(Cl)c3)nc(N)n2)cc1.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is LPBVIWIAVKRHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-3-26-14-7-4-12(5-8-14)16-11-18(24-19(21)23-16)22-13-6-9-17(25-2)15(20)10-13/h4-11H,3H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine?
4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 370.84 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 58626180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).