2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine

C20H28ClN3O3 — CID 44587375

IUPAC2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine
SMILESCCCN(CCC)c1c(C)nc(-c2c(OC)cc(Cl)cc2OC)nc1OC
InChIInChI=1S/C20H28ClN3O3/c1-7-9-24(10-8-2)18-13(3)22-19(23-20(18)27-6)17-15(25-4)11-14(21)12-16(17)26-5/h11-12H,7-10H2,1-6H3
InChIKeyLFRGIXCYYJTHTK-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.76
Rot. Bonds9

About 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine

2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine (PubChem CID 44587375) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine
PubChem CID44587375
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine
SMILESCCCN(CCC)c1c(C)nc(-c2c(OC)cc(Cl)cc2OC)nc1OC
InChIInChI=1S/C20H28ClN3O3/c1-7-9-24(10-8-2)18-13(3)22-19(23-20(18)27-6)17-15(25-4)11-14(21)12-16(17)26-5/h11-12H,7-10H2,1-6H3
InChIKeyLFRGIXCYYJTHTK-UHFFFAOYSA-N
XLogP4.76
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine?
The IUPAC name of 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine (CID 44587375) is 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine.
What is the SMILES notation for 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine?
The canonical SMILES for 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine is CCCN(CCC)c1c(C)nc(-c2c(OC)cc(Cl)cc2OC)nc1OC.
What is the InChIKey of 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine?
The InChIKey is LFRGIXCYYJTHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c1-7-9-24(10-8-2)18-13(3)22-19(23-20(18)27-6)17-15(25-4)11-14(21)12-16(17)26-5/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine?
2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine has a molecular weight of 393.92 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methyl-N,N-dipropylpyrimidin-5-amine is sourced from PubChem (CID 44587375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).