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

C12H12Cl2N4O — CID 516690

IUPAC5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-6-10(11(15)18-12(16)17-6)19-5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H4,15,16,17,18)
InChIKeyNFAHRODTAPLKGP-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.84
Rot. Bonds3

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

5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine (PubChem CID 516690) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine
PubChem CID516690
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-6-10(11(15)18-12(16)17-6)19-5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H4,15,16,17,18)
InChIKeyNFAHRODTAPLKGP-UHFFFAOYSA-N
XLogP2.84
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

BW 48-210
CID 72986
5-[3-(2,3-Dichlorophenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44522598
5-(3-Chlorophenyl)-6-(5-phenoxypentyl)pyrimidine-2,4-diamine;hydrochloride
CID 155512559
5-(3-Chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine;hydrochloride
CID 155550798
5-[(2-Methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44522581
5-[(3,4-Dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44523058
5-[3-(2-Chlorophenoxy)propyl]-6-ethylpyrimidine-2,4-diamine;hydrochloride
CID 44531876
5-[3-(3-Chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44532044
2,4-Diamino-5-(3,4-dichlorophenyl)-6-methoxymethyl pyrimidine
CID 19705129
2,4-Pyrimidinediamine, 5-(3-((4'-chloro(1,1'-biphenyl)-4-yl)oxy)propoxy)-6-methyl-, hydrochloride (1:1)
CID 198604
2,4-Pyrimidinediamine, 5-(3-(4-chloro-2-cyclohexylphenoxy)propoxy)-6-methyl-, monohydrochloride
CID 3050349
2,4-Pyrimidinediamine, 5-(3-(4-chloro-2-cyclohexylphenoxy)propoxy)-6-methyl-
CID 3050350

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine (CID 516690) is 5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine?
The InChIKey is NFAHRODTAPLKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-6-10(11(15)18-12(16)17-6)19-5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine?
5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine has a molecular weight of 299.16 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methoxy]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 516690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).