2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one

C12H18N4O — CID 20626301

IUPAC2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one
SMILESCC(C)Nc1nc(C(C)C)nc2c1NC(=O)C2
InChIInChI=1S/C12H18N4O/c1-6(2)11-14-8-5-9(17)15-10(8)12(16-11)13-7(3)4/h6-7H,5H2,1-4H3,(H,15,17)(H,13,14,16)
InChIKeyZVKKJLVLOGZUFK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.91
Rot. Bonds3

About 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one

2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one (PubChem CID 20626301) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one
PubChem CID20626301
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one
SMILESCC(C)Nc1nc(C(C)C)nc2c1NC(=O)C2
InChIInChI=1S/C12H18N4O/c1-6(2)11-14-8-5-9(17)15-10(8)12(16-11)13-7(3)4/h6-7H,5H2,1-4H3,(H,15,17)(H,13,14,16)
InChIKeyZVKKJLVLOGZUFK-UHFFFAOYSA-N
XLogP1.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one (CID 20626301) is 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one is CC(C)Nc1nc(C(C)C)nc2c1NC(=O)C2.
What is the InChIKey of 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one?
The InChIKey is ZVKKJLVLOGZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-6(2)11-14-8-5-9(17)15-10(8)12(16-11)13-7(3)4/h6-7H,5H2,1-4H3,(H,15,17)(H,13,14,16).
What are the key properties of 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one?
2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(propan-2-ylamino)-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one is sourced from PubChem (CID 20626301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).