4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C10H15N3O — CID 3610643

IUPAC4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCC(C)Cc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C10H15N3O/c1-6(2)5-8-7-3-4-11-9(7)13-10(14)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyIKVMYKZXZOXVNF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.94
Rot. Bonds2

About 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 3610643) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID3610643
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCC(C)Cc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C10H15N3O/c1-6(2)5-8-7-3-4-11-9(7)13-10(14)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyIKVMYKZXZOXVNF-UHFFFAOYSA-N
XLogP0.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 3610643) is 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CC(C)Cc1[nH]c(=O)nc2c1CCN2.
What is the InChIKey of 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is IKVMYKZXZOXVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6(2)5-8-7-3-4-11-9(7)13-10(14)12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3610643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).