2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride

C13H16ClN3O2 — CID 3051324

IUPAC2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
SMILESCOc1ccccc1OCc1nc(C)cc(N)n1.Cl
InChIInChI=1S/C13H15N3O2.ClH/c1-9-7-12(14)16-13(15-9)8-18-11-6-4-3-5-10(11)17-2;/h3-7H,8H2,1-2H3,(H2,14,15,16);1H
InChIKeyJHIVLPNRCVFJIK-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.38
Rot. Bonds4

About 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride

2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride (PubChem CID 3051324) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
PubChem CID3051324
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
SMILESCOc1ccccc1OCc1nc(C)cc(N)n1.Cl
InChIInChI=1S/C13H15N3O2.ClH/c1-9-7-12(14)16-13(15-9)8-18-11-6-4-3-5-10(11)17-2;/h3-7H,8H2,1-2H3,(H2,14,15,16);1H
InChIKeyJHIVLPNRCVFJIK-UHFFFAOYSA-N
XLogP2.38
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80654595
2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80654623
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
2-[(3-ethoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80655014
6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
CID 80503710
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642
[6-methyl-2-[(2-propoxyphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80664443
2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine
CID 80654778
2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 107100969
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride (CID 3051324) is 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride is COc1ccccc1OCc1nc(C)cc(N)n1.Cl.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride?
The InChIKey is JHIVLPNRCVFJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.ClH/c1-9-7-12(14)16-13(15-9)8-18-11-6-4-3-5-10(11)17-2;/h3-7H,8H2,1-2H3,(H2,14,15,16);1H.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride?
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 3051324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).