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

C14H15Cl2N3O3 — CID 12655207

IUPAC4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(Cc2c(Cl)nc(N)nc2Cl)cc(OC)c1OC
InChIInChI=1S/C14H15Cl2N3O3/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)18-14(17)19-13(8)16/h5-6H,4H2,1-3H3,(H2,17,18,19)
InChIKeySRUWYJAYOBVHSS-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.98
Rot. Bonds5

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

4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 12655207) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID12655207
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(Cc2c(Cl)nc(N)nc2Cl)cc(OC)c1OC
InChIInChI=1S/C14H15Cl2N3O3/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)18-14(17)19-13(8)16/h5-6H,4H2,1-3H3,(H2,17,18,19)
InChIKeySRUWYJAYOBVHSS-UHFFFAOYSA-N
XLogP2.98
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 628127
4-chloro-1-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-6-amine
CID 87521221
4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 175987067
6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 154379837
2-chloro-4,5-dimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine
CID 148758551
potassium;2-[4-[(2-amino-4-chloro-6-methylpyrimidin-5-yl)methyl]-3-methoxyphenyl]acetonitrile;cyanide
CID 158547793
6-ethyl-5-[[3-propoxy-4-[(3,4,5-trimethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11202498
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride
CID 44522585
4-chloro-5-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-2-amine
CID 87895848

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (CID 12655207) is 4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is COc1cc(Cc2c(Cl)nc(N)nc2Cl)cc(OC)c1OC.
What is the InChIKey of 4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is SRUWYJAYOBVHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)18-14(17)19-13(8)16/h5-6H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 344.20 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 12655207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).