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

C19H21N7 — CID 31162606

IUPAC5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(NCCn2c(C)cc3ccccc32)nc1-c1ncnn1C
InChIInChI=1S/C19H21N7/c1-13-11-21-19(24-17(13)18-22-12-23-25(18)3)20-8-9-26-14(2)10-15-6-4-5-7-16(15)26/h4-7,10-12H,8-9H2,1-3H3,(H,20,21,24)
InChIKeyPWSIEXDWNKAKKT-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.96
Rot. Bonds5

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

5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (PubChem CID 31162606) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
PubChem CID31162606
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCc1cnc(NCCn2c(C)cc3ccccc32)nc1-c1ncnn1C
InChIInChI=1S/C19H21N7/c1-13-11-21-19(24-17(13)18-22-12-23-25(18)3)20-8-9-26-14(2)10-15-6-4-5-7-16(15)26/h4-7,10-12H,8-9H2,1-3H3,(H,20,21,24)
InChIKeyPWSIEXDWNKAKKT-UHFFFAOYSA-N
XLogP2.96
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (CID 31162606) is 5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is Cc1cnc(NCCn2c(C)cc3ccccc32)nc1-c1ncnn1C.
What is the InChIKey of 5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The InChIKey is PWSIEXDWNKAKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-13-11-21-19(24-17(13)18-22-12-23-25(18)3)20-8-9-26-14(2)10-15-6-4-5-7-16(15)26/h4-7,10-12H,8-9H2,1-3H3,(H,20,21,24).
What are the key properties of 5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine has a molecular weight of 347.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylindol-1-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 31162606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).