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

C10H15N3O — CID 4029920

IUPAC4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCCCCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C10H15N3O/c1-2-3-4-8-7-5-6-11-9(7)13-10(14)12-8/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyBSGXZISJEDCEFZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.08
Rot. Bonds3

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

4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 4029920) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID4029920
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCCCCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C10H15N3O/c1-2-3-4-8-7-5-6-11-9(7)13-10(14)12-8/h2-6H2,1H3,(H2,11,12,13,14)
InChIKeyBSGXZISJEDCEFZ-UHFFFAOYSA-N
XLogP1.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aziridin-1-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 163611236
4-Cyclobutyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3279813
4-Ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3303938
4-Ethyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3306550
4-Pentan-3-yl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3432633
4-(Piperidin-1-ylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3447840
4-(1-Ethylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3504387
4-(1-Ethylpiperidin-2-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3504390
4-(2-Methylpropyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3610643
4-(1-Methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3664646
4-Propyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3904183
4-Tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3930641

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 4029920) is 4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CCCCc1[nH]c(=O)nc2c1CCN2.
What is the InChIKey of 4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is BSGXZISJEDCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-4-8-7-5-6-11-9(7)13-10(14)12-8/h2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 4029920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).