2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide

C14H19ClN4O — CID 129292962

IUPAC2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)C1Cc2cnc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H19ClN4O/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h8,10-11H,3-7H2,1-2H3
InChIKeyLLVWWKKTHKEPEG-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.89
Rot. Bonds2

About 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide

2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 129292962) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID129292962
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)C1Cc2cnc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C14H19ClN4O/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h8,10-11H,3-7H2,1-2H3
InChIKeyLLVWWKKTHKEPEG-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 129292962) is 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)C1Cc2cnc(Cl)nc2N1C1CCCC1.
What is the InChIKey of 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LLVWWKKTHKEPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 129292962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).