2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate

C22H34N6O4 — CID 171661364

IUPAC2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate
SMILESCN(C)C(=O)c1cc2cnc(N)nc2n1C1CCCC1.CNC(=O)OC1CCCC(O)C1
InChIInChI=1S/C14H19N5O.C8H15NO3/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10;1-9-8(11)12-7-4-2-3-6(10)5-7/h7-8,10H,3-6H2,1-2H3,(H2,15,16,17);6-7,10H,2-5H2,1H3,(H,9,11)
InChIKeyXPQHBIZQXCCYLB-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate

2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate (PubChem CID 171661364) has the molecular formula C22H34N6O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate.

Molecular Properties

Compound Name2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate
PubChem CID171661364
Molecular FormulaC22H34N6O4
Molecular Weight446.55 g/mol
Exact Mass446.26
IUPAC Name2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate
SMILESCN(C)C(=O)c1cc2cnc(N)nc2n1C1CCCC1.CNC(=O)OC1CCCC(O)C1
InChIInChI=1S/C14H19N5O.C8H15NO3/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10;1-9-8(11)12-7-4-2-3-6(10)5-7/h7-8,10H,3-6H2,1-2H3,(H2,15,16,17);6-7,10H,2-5H2,1H3,(H,9,11)
InChIKeyXPQHBIZQXCCYLB-UHFFFAOYSA-N
XLogP2.48
TPSA135.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
2-(4-acetamidoanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155437
2-amino-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-5-carbonitrile;(3-hydroxycyclohexyl) N-methylcarbamate
CID 171661146
2-(4-carbamoyl-2-chloroanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155537
2-(4-carbamoyl-2-fluoroanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155472
cyclopentyl 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 170994601
2-[[5-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818221
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
[[2-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3,4-dihydropyridin-5-yl]-methylamino]methyl-methylazanium
CID 142567297
7-cyclopentyl-N,N-dimethyl-2-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 126538869
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402
2-[[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 146244200

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate?
The IUPAC name of 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate (CID 171661364) is 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate.
What is the SMILES notation for 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate?
The canonical SMILES for 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate is CN(C)C(=O)c1cc2cnc(N)nc2n1C1CCCC1.CNC(=O)OC1CCCC(O)C1.
What is the InChIKey of 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate?
The InChIKey is XPQHBIZQXCCYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.C8H15NO3/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10;1-9-8(11)12-7-4-2-3-6(10)5-7/h7-8,10H,3-6H2,1-2H3,(H2,15,16,17);6-7,10H,2-5H2,1H3,(H,9,11).
What are the key properties of 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate?
2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate has a molecular weight of 446.55 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;(3-hydroxycyclohexyl) N-methylcarbamate is sourced from PubChem (CID 171661364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).