6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine

C16H20ClN3O — CID 63728101

IUPAC6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)Cc1ccccc1OC
InChIInChI=1S/C16H20ClN3O/c1-4-7-13-15(17)18-11-19-16(13)20(2)10-12-8-5-6-9-14(12)21-3/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyAPFSSMSQNSMOKW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.73
Rot. Bonds6

About 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine

6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine (PubChem CID 63728101) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
PubChem CID63728101
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(C)Cc1ccccc1OC
InChIInChI=1S/C16H20ClN3O/c1-4-7-13-15(17)18-11-19-16(13)20(2)10-12-8-5-6-9-14(12)21-3/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyAPFSSMSQNSMOKW-UHFFFAOYSA-N
XLogP3.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80779291
6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271464
6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 63730431
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
[5-chloro-6-[(2-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417850
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
4-chloro-6-(2-ethoxyphenoxy)-5-propylpyrimidine
CID 63734858
6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
CID 102907328
3-[(2-methoxyphenyl)methyl-methylamino]pyrazine-2-carbothioamide
CID 62684959

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine (CID 63728101) is 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1N(C)Cc1ccccc1OC.
What is the InChIKey of 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine?
The InChIKey is APFSSMSQNSMOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-7-13-15(17)18-11-19-16(13)20(2)10-12-8-5-6-9-14(12)21-3/h5-6,8-9,11H,4,7,10H2,1-3H3.
What are the key properties of 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine?
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63728101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).