4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C11H17N3O — CID 3432633

IUPAC4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCCC(CC)c1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C11H17N3O/c1-3-7(4-2)9-8-5-6-12-10(8)14-11(15)13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyRHEZFQDZCMDSSO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.64
Rot. Bonds3

About 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 3432633) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID3432633
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCCC(CC)c1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C11H17N3O/c1-3-7(4-2)9-8-5-6-12-10(8)14-11(15)13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyRHEZFQDZCMDSSO-UHFFFAOYSA-N
XLogP1.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 3432633) is 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CCC(CC)c1[nH]c(=O)nc2c1CCN2.
What is the InChIKey of 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is RHEZFQDZCMDSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-7(4-2)9-8-5-6-12-10(8)14-11(15)13-9/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3432633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).