1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone

C15H24N6O — CID 68723659

IUPAC1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)c3c(n2)CN(C(C)C)C3)CC1
InChIInChI=1S/C15H24N6O/c1-10(2)21-8-12-13(9-21)17-15(18-14(12)16)20-6-4-19(5-7-20)11(3)22/h10H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyHWHYJCRUANXBGS-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.45
Rot. Bonds2

About 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone

1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone (PubChem CID 68723659) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone
PubChem CID68723659
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)c3c(n2)CN(C(C)C)C3)CC1
InChIInChI=1S/C15H24N6O/c1-10(2)21-8-12-13(9-21)17-15(18-14(12)16)20-6-4-19(5-7-20)11(3)22/h10H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyHWHYJCRUANXBGS-UHFFFAOYSA-N
XLogP0.45
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone (CID 68723659) is 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(N)c3c(n2)CN(C(C)C)C3)CC1.
What is the InChIKey of 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is HWHYJCRUANXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-10(2)21-8-12-13(9-21)17-15(18-14(12)16)20-6-4-19(5-7-20)11(3)22/h10H,4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone?
1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 304.40 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 68723659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).