N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine

C16H24N4S — CID 107556726

IUPACN-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CN2CCn3ccnc3C2)s1
InChIInChI=1S/C16H24N4S/c1-16(2,3)18-10-13-4-5-14(21-13)11-19-8-9-20-7-6-17-15(20)12-19/h4-7,18H,8-12H2,1-3H3
InChIKeyMMRPZAUOZPNPOB-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.85
Rot. Bonds4

About N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107556726) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107556726
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CN2CCn3ccnc3C2)s1
InChIInChI=1S/C16H24N4S/c1-16(2,3)18-10-13-4-5-14(21-13)11-19-8-9-20-7-6-17-15(20)12-19/h4-7,18H,8-12H2,1-3H3
InChIKeyMMRPZAUOZPNPOB-UHFFFAOYSA-N
XLogP2.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 107556726) is N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(CN2CCn3ccnc3C2)s1.
What is the InChIKey of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MMRPZAUOZPNPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-16(2,3)18-10-13-4-5-14(21-13)11-19-8-9-20-7-6-17-15(20)12-19/h4-7,18H,8-12H2,1-3H3.
What are the key properties of N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107556726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).