2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C15H23N5O — CID 3078679

IUPAC2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCN1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1
InChIInChI=1S/C15H23N5O/c1-3-4-5-19-6-8-20(9-7-19)15-16-11-12-10-13(21)18(2)14(12)17-15/h11H,3-10H2,1-2H3
InChIKeySNVJOYRRBGIRNK-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.92
Rot. Bonds4

About 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 3078679) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID3078679
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCN1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1
InChIInChI=1S/C15H23N5O/c1-3-4-5-19-6-8-20(9-7-19)15-16-11-12-10-13(21)18(2)14(12)17-15/h11H,3-10H2,1-2H3
InChIKeySNVJOYRRBGIRNK-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-((1-methylethyl)amino)-, monohydrochloride
CID 3078644
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-
CID 3078642
1-Piperazinecarboxamide, N,N-diethyl-4-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-
CID 3078643
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-morpholinyl)-, monohydrochloride
CID 3078646
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-thiomorpholinyl)-, monohydrochloride
CID 3078648
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(3-methyl-1-piperidinyl)-, monohydrochloride
CID 3078650
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperidinyl)-, monohydrochloride
CID 3078652
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylethyl)-1-piperidinyl)-, monohydrochloride
CID 3078654
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(1,1-dimethylethyl)-1-piperidinyl)-7-methyl-, monohydrochloride
CID 3078656
4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
CID 3078662
4-Piperidinecarboxylic acid, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-,ethyl ester, monohydrochloride
CID 3078664
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(1,4'-bipiperidin)-1'-yl-7-methyl-, monohydrochloride
CID 3078666

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 3078679) is 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCCCN1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.
What is the InChIKey of 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is SNVJOYRRBGIRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-4-5-19-6-8-20(9-7-19)15-16-11-12-10-13(21)18(2)14(12)17-15/h11H,3-10H2,1-2H3.
What are the key properties of 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 289.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 3078679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).