5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine

C15H18ClN3O2 — CID 133383927

IUPAC5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
SMILESCCN(Cc1ccc(OC)c(OC)c1)c1ncc(Cl)cn1
InChIInChI=1S/C15H18ClN3O2/c1-4-19(15-17-8-12(16)9-18-15)10-11-5-6-13(20-2)14(7-11)21-3/h5-9H,4,10H2,1-3H3
InChIKeyBANIQVMHJZHKRD-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.17
Rot. Bonds6

About 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine

5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine (PubChem CID 133383927) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
PubChem CID133383927
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
SMILESCCN(Cc1ccc(OC)c(OC)c1)c1ncc(Cl)cn1
InChIInChI=1S/C15H18ClN3O2/c1-4-19(15-17-8-12(16)9-18-15)10-11-5-6-13(20-2)14(7-11)21-3/h5-9H,4,10H2,1-3H3
InChIKeyBANIQVMHJZHKRD-UHFFFAOYSA-N
XLogP3.17
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 133423616
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276
2,6-dichloro-4-N,4-N,8-N,8-N-tetrakis[(3,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11457132
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109258488
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 47014060
4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
CID 175433154
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine
CID 167837344
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine (CID 133383927) is 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine is CCN(Cc1ccc(OC)c(OC)c1)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine?
The InChIKey is BANIQVMHJZHKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-4-19(15-17-8-12(16)9-18-15)10-11-5-6-13(20-2)14(7-11)21-3/h5-9H,4,10H2,1-3H3.
What are the key properties of 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine?
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine has a molecular weight of 307.78 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 133383927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).