[4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone

C21H26N6O — CID 91960681

IUPAC[4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCc1cc2c(Nc3ccc(C(=O)N4CCCCC4)cc3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C21H26N6O/c1-14-13-17-18(22-14)24-21(26(2)3)25-19(17)23-16-9-7-15(8-10-16)20(28)27-11-5-4-6-12-27/h7-10,13H,4-6,11-12H2,1-3H3,(H2,22,23,24,25)
InChIKeyDPPCUTAJYTUWEO-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.70
Rot. Bonds4

About [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone

[4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone (PubChem CID 91960681) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
PubChem CID91960681
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCc1cc2c(Nc3ccc(C(=O)N4CCCCC4)cc3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C21H26N6O/c1-14-13-17-18(22-14)24-21(26(2)3)25-19(17)23-16-9-7-15(8-10-16)20(28)27-11-5-4-6-12-27/h7-10,13H,4-6,11-12H2,1-3H3,(H2,22,23,24,25)
InChIKeyDPPCUTAJYTUWEO-UHFFFAOYSA-N
XLogP3.70
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[4-[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 91960840
4-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 110430519
2,6-dimethyl-N-(4-piperidin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430903
[4-[(2-chloroquinazolin-4-yl)amino]phenyl]-piperidin-1-ylmethanone
CID 85471593
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone
CID 163260959
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960829
[4-[[5-(azetidine-1-carbonyl)-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 122521078
5-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 2970344
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone (CID 91960681) is [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone is Cc1cc2c(Nc3ccc(C(=O)N4CCCCC4)cc3)nc(N(C)C)nc2[nH]1.
What is the InChIKey of [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is DPPCUTAJYTUWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-13-17-18(22-14)24-21(26(2)3)25-19(17)23-16-9-7-15(8-10-16)20(28)27-11-5-4-6-12-27/h7-10,13H,4-6,11-12H2,1-3H3,(H2,22,23,24,25).
What are the key properties of [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone?
[4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 378.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91960681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).