3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine

C18H17N7 — CID 164614753

IUPAC3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCN(C)c1nccn2c(-c3ccnc(N)n3)c(-c3ccccc3)nc12
InChIInChI=1S/C18H17N7/c1-24(2)16-17-23-14(12-6-4-3-5-7-12)15(25(17)11-10-20-16)13-8-9-21-18(19)22-13/h3-11H,1-2H3,(H2,19,21,22)
InChIKeyLELKNWROXAPJEO-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.50
Rot. Bonds3

About 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine

3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 164614753) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine
PubChem CID164614753
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCN(C)c1nccn2c(-c3ccnc(N)n3)c(-c3ccccc3)nc12
InChIInChI=1S/C18H17N7/c1-24(2)16-17-23-14(12-6-4-3-5-7-12)15(25(17)11-10-20-16)13-8-9-21-18(19)22-13/h3-11H,1-2H3,(H2,19,21,22)
InChIKeyLELKNWROXAPJEO-UHFFFAOYSA-N
XLogP2.50
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine (CID 164614753) is 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine is CN(C)c1nccn2c(-c3ccnc(N)n3)c(-c3ccccc3)nc12.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is LELKNWROXAPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-24(2)16-17-23-14(12-6-4-3-5-7-12)15(25(17)11-10-20-16)13-8-9-21-18(19)22-13/h3-11H,1-2H3,(H2,19,21,22).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine?
3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 331.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 164614753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).