6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone

C14H18N6O — CID 56916423

IUPAC6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCC(C)Nc1ncc(C(=O)N2CCn3cncc3C2)cn1
InChIInChI=1S/C14H18N6O/c1-10(2)18-14-16-5-11(6-17-14)13(21)19-3-4-20-9-15-7-12(20)8-19/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyULGCCQRWHPEDLV-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.15
Rot. Bonds3

About 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone (PubChem CID 56916423) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
PubChem CID56916423
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCC(C)Nc1ncc(C(=O)N2CCn3cncc3C2)cn1
InChIInChI=1S/C14H18N6O/c1-10(2)18-14-16-5-11(6-17-14)13(21)19-3-4-20-9-15-7-12(20)8-19/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyULGCCQRWHPEDLV-UHFFFAOYSA-N
XLogP1.15
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone (CID 56916423) is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone is CC(C)Nc1ncc(C(=O)N2CCn3cncc3C2)cn1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
The InChIKey is ULGCCQRWHPEDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10(2)18-14-16-5-11(6-17-14)13(21)19-3-4-20-9-15-7-12(20)8-19/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone has a molecular weight of 286.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 56916423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).