5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride

C13H17ClN4O2 — CID 44522581

IUPAC5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccccc1COc1c(C)nc(N)nc1N.Cl
InChIInChI=1S/C13H16N4O2.ClH/c1-8-11(12(14)17-13(15)16-8)19-7-9-5-3-4-6-10(9)18-2;/h3-6H,7H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyGNZZABFJYCUVKD-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.96
Rot. Bonds4

About 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride

5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 44522581) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
PubChem CID44522581
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccccc1COc1c(C)nc(N)nc1N.Cl
InChIInChI=1S/C13H16N4O2.ClH/c1-8-11(12(14)17-13(15)16-8)19-7-9-5-3-4-6-10(9)18-2;/h3-6H,7H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyGNZZABFJYCUVKD-UHFFFAOYSA-N
XLogP1.96
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-{3-[(2,4-Diamino-6-Ethylpyrimidin-5-Yl)oxy]propoxy}phenyl)propanoic Acid
CID 66563688
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
5-(3-{3-[(2,4-Diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 50992060
5-(4-{3-[(2,4-Diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 60199138
5-(3-(2,5-Dimethoxyphenyl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine
CID 25058133
5-[3-(2,5-Dimethoxyphenyl)prop-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25138223
5-[3-(2,5-Dimethoxyphenyl)prop-1-Yn-1-Yl]-6-Propylpyrimidine-2,4-Diamine
CID 25138224
5-[4-[3-(2,4-Diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]-6-ethylpyrimidine-2,4-diamine;dihydrochloride
CID 60199139
BW 48-210
CID 72986
5-[3-(4-Methoxy-2-prop-2-enylphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44522583
5-[3-(2-Bromophenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44522590
5-[3-(4-Bromo-2-prop-2-enylphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44522593

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride (CID 44522581) is 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride is COc1ccccc1COc1c(C)nc(N)nc1N.Cl.
What is the InChIKey of 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is GNZZABFJYCUVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.ClH/c1-8-11(12(14)17-13(15)16-8)19-7-9-5-3-4-6-10(9)18-2;/h3-6H,7H2,1-2H3,(H4,14,15,16,17);1H.
What are the key properties of 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44522581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).