7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C15H16N4O — CID 166113090

IUPAC7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2cc(C(=O)N(C)C)n(C3C=CC=C3)c2n1
InChIInChI=1S/C15H16N4O/c1-10-16-9-11-8-13(15(20)18(2)3)19(14(11)17-10)12-6-4-5-7-12/h4-9,12H,1-3H3
InChIKeyFKHPTWVJNYKAGT-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.11
Rot. Bonds2

About 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 166113090) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID166113090
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2cc(C(=O)N(C)C)n(C3C=CC=C3)c2n1
InChIInChI=1S/C15H16N4O/c1-10-16-9-11-8-13(15(20)18(2)3)19(14(11)17-10)12-6-4-5-7-12/h4-9,12H,1-3H3
InChIKeyFKHPTWVJNYKAGT-UHFFFAOYSA-N
XLogP2.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

Ribociclib
CID 44631912
7-Cyclopentyl-2-({1-Methyl-5-[(4-Methylpiperazin-1-Yl)carbonyl]-1h-Pyrrol-3-Yl}amino)-7h-Pyrrolo[2,3-D]pyrimidine-6-Carboxamide
CID 57383477
Pyrrolo[2,3-d]pyrimidine derivative 9
CID 44818950
4-((2-cyano-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methyl)-N,N-dimethylbenzamide
CID 44444229
N-[4-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-N'-hydroxyheptanediamide
CID 137632010
N-ethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137634895
7-cyclopentyl-2-[4-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 137654984
N-ethyl-4-(2-phenylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137656009
N-ethyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137661938
Adb-P7aica
CID 155538637
7-cyclopentyl-N,N-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58015961
8-Cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 58299762

Frequently Asked Questions

What is the IUPAC name of 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 166113090) is 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is Cc1ncc2cc(C(=O)N(C)C)n(C3C=CC=C3)c2n1.
What is the InChIKey of 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FKHPTWVJNYKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-16-9-11-8-13(15(20)18(2)3)19(14(11)17-10)12-6-4-5-7-12/h4-9,12H,1-3H3.
What are the key properties of 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopenta-2,4-dien-1-yl-N,N,2-trimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166113090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).