5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C20H25N5O3 — CID 117091971

IUPAC5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(-c3c(C)nn(C)c3C)ncc2C)cc(OC)c1OC
InChIInChI=1S/C20H25N5O3/c1-11-10-21-20(17-12(2)24-25(4)13(17)3)23-19(11)22-14-8-15(26-5)18(28-7)16(9-14)27-6/h8-10H,1-7H3,(H,21,22,23)
InChIKeyGZSBPKAHLIPISO-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.57
Rot. Bonds6

About 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 117091971) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID117091971
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1cc(Nc2nc(-c3c(C)nn(C)c3C)ncc2C)cc(OC)c1OC
InChIInChI=1S/C20H25N5O3/c1-11-10-21-20(17-12(2)24-25(4)13(17)3)23-19(11)22-14-8-15(26-5)18(28-7)16(9-14)27-6/h8-10H,1-7H3,(H,21,22,23)
InChIKeyGZSBPKAHLIPISO-UHFFFAOYSA-N
XLogP3.57
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine with MolForge

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Related Compounds

9-cyclohexyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117091571
5-methyl-N-(4-morpholin-4-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 117081084
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 117090908
1-[3-[5-methyl-4-(3,4,5-trimethoxyanilino)pyrimidin-2-yl]phenyl]ethanone
CID 117092155
3-methyl-2-N-(3,4,5-trimethoxyphenyl)pyridine-2,5-diamine
CID 62477219
2-(6-methoxy-3-pyridinyl)-5,7-dimethyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 58677715
2,3-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039765
5-methyl-4-[2-(sulfinoamino)anilino]-2-(3,4,5-trimethoxyanilino)pyrimidine
CID 66953463
1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylethanamine
CID 110447777
5-bromo-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 66297403
1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine
CID 82542007
N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17499400

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 117091971) is 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is COc1cc(Nc2nc(-c3c(C)nn(C)c3C)ncc2C)cc(OC)c1OC.
What is the InChIKey of 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is GZSBPKAHLIPISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-11-10-21-20(17-12(2)24-25(4)13(17)3)23-19(11)22-14-8-15(26-5)18(28-7)16(9-14)27-6/h8-10H,1-7H3,(H,21,22,23).
What are the key properties of 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 383.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,4,5-trimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 117091971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).