cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C16H20N6O2 — CID 97467636

IUPACcyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCOc1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)ncn1
InChIInChI=1S/C16H20N6O2/c1-24-15-6-13(18-10-19-15)17-7-12-8-21-4-5-22(9-14(21)20-12)16(23)11-2-3-11/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,18,19)
InChIKeyBJVHMGNWYUOXMI-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.05
Rot. Bonds5

About cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 97467636) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID97467636
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Namecyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCOc1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)ncn1
InChIInChI=1S/C16H20N6O2/c1-24-15-6-13(18-10-19-15)17-7-12-8-21-4-5-22(9-14(21)20-12)16(23)11-2-3-11/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,18,19)
InChIKeyBJVHMGNWYUOXMI-UHFFFAOYSA-N
XLogP1.05
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 97467636) is cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is COc1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)ncn1.
What is the InChIKey of cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is BJVHMGNWYUOXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-24-15-6-13(18-10-19-15)17-7-12-8-21-4-5-22(9-14(21)20-12)16(23)11-2-3-11/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,18,19).
What are the key properties of cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 328.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 97467636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).