N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C20H25N5O — CID 117090908

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3c(C)nn(C)c3C)ncc2C)cc1
InChIInChI=1S/C20H25N5O/c1-13-12-22-20(18-14(2)24-25(4)15(18)3)23-19(13)21-11-10-16-6-8-17(26-5)9-7-16/h6-9,12H,10-11H2,1-5H3,(H,21,22,23)
InChIKeyMIISIHHXBDORLM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 117090908) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID117090908
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3c(C)nn(C)c3C)ncc2C)cc1
InChIInChI=1S/C20H25N5O/c1-13-12-22-20(18-14(2)24-25(4)15(18)3)23-19(13)21-11-10-16-6-8-17(26-5)9-7-16/h6-9,12H,10-11H2,1-5H3,(H,21,22,23)
InChIKeyMIISIHHXBDORLM-UHFFFAOYSA-N
XLogP3.47
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 117090815
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117087862
4-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-N-pyrazin-2-ylpyrimidine-2,4-diamine
CID 117089303
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-5-methylpyrimidin-4-amine
CID 117087438
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111169565
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 115580267
3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135476904
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111781424
3-[2-(4-methoxyphenyl)ethoxy]-1,5-dimethylpyrazole
CID 75438240
7-[3-(dimethylamino)propyl]-N-[2-(4-methoxyphenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 118960909

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 117090908) is N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is COc1ccc(CCNc2nc(-c3c(C)nn(C)c3C)ncc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is MIISIHHXBDORLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-13-12-22-20(18-14(2)24-25(4)15(18)3)23-19(13)21-11-10-16-6-8-17(26-5)9-7-16/h6-9,12H,10-11H2,1-5H3,(H,21,22,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 351.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 117090908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).