2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride

C16H21Cl2N3O — CID 3025157

IUPAC2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride
SMILESCCN(CC)c1cc(C)nc(COc2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C16H20ClN3O.ClH/c1-4-20(5-2)16-9-12(3)18-15(19-16)11-21-14-8-6-7-13(17)10-14;/h6-10H,4-5,11H2,1-3H3;1H
InChIKeyMTZMDNNRSSEQQF-UHFFFAOYSA-N
MW342.27 g/mol
LogP4.29
Rot. Bonds6

About 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride

2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride (PubChem CID 3025157) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride
PubChem CID3025157
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride
SMILESCCN(CC)c1cc(C)nc(COc2cccc(Cl)c2)n1.Cl
InChIInChI=1S/C16H20ClN3O.ClH/c1-4-20(5-2)16-9-12(3)18-15(19-16)11-21-14-8-6-7-13(17)10-14;/h6-10H,4-5,11H2,1-3H3;1H
InChIKeyMTZMDNNRSSEQQF-UHFFFAOYSA-N
XLogP4.29
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
4-[1-(4-Chlorophenoxy)ethyl]pyrimidin-2-amine
CID 4271606
(4,6-Dimethylpyrimidin-2-yl)(2-phenoxyethyl)cyanamide
CID 750969
4-(4-Methyl-6-phenoxypyrimidin-2-yl)morpholine
CID 921200
2-N-(2,6-dichloro-4-methoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
CID 10596113
6-Methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride
CID 44522578
5-(3-Chlorophenoxy)-6-methylpyrimidine-2,4-diamine;sulfuric acid
CID 44531193
6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride
CID 44531422
5-[3-(3-Chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44532044
N-(3-chloro-4-methoxyphenyl)-N,2,6-trimethylpyrimidin-4-amine
CID 145965679
Pyrimidine, 4-amino-2-((m-chlorophenoxy)methyl)-6-methyl-, hydrochloride
CID 3051323

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride (CID 3025157) is 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride is CCN(CC)c1cc(C)nc(COc2cccc(Cl)c2)n1.Cl.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride?
The InChIKey is MTZMDNNRSSEQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O.ClH/c1-4-20(5-2)16-9-12(3)18-15(19-16)11-21-14-8-6-7-13(17)10-14;/h6-10H,4-5,11H2,1-3H3;1H.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride?
2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride has a molecular weight of 342.27 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-N,N-diethyl-6-methylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 3025157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).