7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine

C18H17N7 — CID 157016578

IUPAC7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine
SMILESCn1cnc2nc(NCCc3nccc(-c4ccccc4)n3)ncc21
InChIInChI=1S/C18H17N7/c1-25-12-22-17-15(25)11-21-18(24-17)20-10-8-16-19-9-7-14(23-16)13-5-3-2-4-6-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,21,24)
InChIKeyMTJQWKPOOBDEOS-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.47
Rot. Bonds5

About 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine

7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine (PubChem CID 157016578) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine.

Molecular Properties

Compound Name7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine
PubChem CID157016578
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine
SMILESCn1cnc2nc(NCCc3nccc(-c4ccccc4)n3)ncc21
InChIInChI=1S/C18H17N7/c1-25-12-22-17-15(25)11-21-18(24-17)20-10-8-16-19-9-7-14(23-16)13-5-3-2-4-6-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,21,24)
InChIKeyMTJQWKPOOBDEOS-UHFFFAOYSA-N
XLogP2.47
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine?
The IUPAC name of 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine (CID 157016578) is 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine.
What is the SMILES notation for 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine?
The canonical SMILES for 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine is Cn1cnc2nc(NCCc3nccc(-c4ccccc4)n3)ncc21.
What is the InChIKey of 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine?
The InChIKey is MTJQWKPOOBDEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-25-12-22-17-15(25)11-21-18(24-17)20-10-8-16-19-9-7-14(23-16)13-5-3-2-4-6-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,21,24).
What are the key properties of 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine?
7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]purin-2-amine is sourced from PubChem (CID 157016578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).