2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine

C18H30N4 — CID 3231307

IUPAC2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCC(C)Cc1nc2cnccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H30N4/c1-13(2)10-14-16(21-18(6,7)12-17(3,4)5)22-9-8-19-11-15(22)20-14/h8-9,11,13,21H,10,12H2,1-7H3
InChIKeyDGLWWCXBLSMHKJ-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.55
Rot. Bonds5

About 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine

2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 3231307) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID3231307
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESCC(C)Cc1nc2cnccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H30N4/c1-13(2)10-14-16(21-18(6,7)12-17(3,4)5)22-9-8-19-11-15(22)20-14/h8-9,11,13,21H,10,12H2,1-7H3
InChIKeyDGLWWCXBLSMHKJ-UHFFFAOYSA-N
XLogP4.55
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine (CID 3231307) is 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine is CC(C)Cc1nc2cnccn2c1NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is DGLWWCXBLSMHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-13(2)10-14-16(21-18(6,7)12-17(3,4)5)22-9-8-19-11-15(22)20-14/h8-9,11,13,21H,10,12H2,1-7H3.
What are the key properties of 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine?
2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 302.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 3231307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).