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

C11H13N5O — CID 146089042

IUPAC1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
SMILESCN1CCN(c2ncnc3[nH]ccc23)CC1=O
InChIInChI=1S/C11H13N5O/c1-15-4-5-16(6-9(15)17)11-8-2-3-12-10(8)13-7-14-11/h2-3,7H,4-6H2,1H3,(H,12,13,14)
InChIKeyPXNINZGQRZCPJR-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.24
Rot. Bonds1

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

1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 146089042) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
PubChem CID146089042
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
SMILESCN1CCN(c2ncnc3[nH]ccc23)CC1=O
InChIInChI=1S/C11H13N5O/c1-15-4-5-16(6-9(15)17)11-8-2-3-12-10(8)13-7-14-11/h2-3,7H,4-6H2,1H3,(H,12,13,14)
InChIKeyPXNINZGQRZCPJR-UHFFFAOYSA-N
XLogP0.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 136523184
4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110873280
1-[(3,5-dimethylphenyl)methyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 70713240
4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 171323909
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
4-(4-cyclopropylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 155974317
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 172616633
(3aR,7aS)-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138386678
1-[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]ethanone
CID 176575619
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-thiazepane 1,1-dioxide
CID 127338304
1-methyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane
CID 90265129
2-propan-2-yl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 71926466

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one (CID 146089042) is 1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one is CN1CCN(c2ncnc3[nH]ccc23)CC1=O.
What is the InChIKey of 1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is PXNINZGQRZCPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-15-4-5-16(6-9(15)17)11-8-2-3-12-10(8)13-7-14-11/h2-3,7H,4-6H2,1H3,(H,12,13,14).
What are the key properties of 1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one?
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 231.26 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 146089042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).