6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine

C14H16ClN3O3 — CID 628127

IUPAC6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(Cc2nc(N)cc(Cl)n2)cc(OC)c1OC
InChIInChI=1S/C14H16ClN3O3/c1-19-9-4-8(5-10(20-2)14(9)21-3)6-13-17-11(15)7-12(16)18-13/h4-5,7H,6H2,1-3H3,(H2,16,17,18)
InChIKeyVDKBVLWNXHKJHX-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.33
Rot. Bonds5

About 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine

6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 628127) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID628127
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1cc(Cc2nc(N)cc(Cl)n2)cc(OC)c1OC
InChIInChI=1S/C14H16ClN3O3/c1-19-9-4-8(5-10(20-2)14(9)21-3)6-13-17-11(15)7-12(16)18-13/h4-5,7H,6H2,1-3H3,(H2,16,17,18)
InChIKeyVDKBVLWNXHKJHX-UHFFFAOYSA-N
XLogP2.33
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 12655207
4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
CID 53381610
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine
CID 95474422
4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 175987067
2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
CID 148758551
4-amino-5-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carbonitrile
CID 71188042
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
CID 60864984
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate
CID 13060218
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
CID 46318449

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine (CID 628127) is 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine is COc1cc(Cc2nc(N)cc(Cl)n2)cc(OC)c1OC.
What is the InChIKey of 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is VDKBVLWNXHKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-19-9-4-8(5-10(20-2)14(9)21-3)6-13-17-11(15)7-12(16)18-13/h4-5,7H,6H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine?
6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 309.75 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 628127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).