4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine

C12H15ClN4 — CID 141348841

IUPAC4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)ncnc2n1CC1CCCN1
InChIInChI=1S/C12H15ClN4/c1-8-5-10-11(13)15-7-16-12(10)17(8)6-9-3-2-4-14-9/h5,7,9,14H,2-4,6H2,1H3
InChIKeyQZXCRTTXHZCUTB-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.15
Rot. Bonds2

About 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine

4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 141348841) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
PubChem CID141348841
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)ncnc2n1CC1CCCN1
InChIInChI=1S/C12H15ClN4/c1-8-5-10-11(13)15-7-16-12(10)17(8)6-9-3-2-4-14-9/h5,7,9,14H,2-4,6H2,1H3
InChIKeyQZXCRTTXHZCUTB-UHFFFAOYSA-N
XLogP2.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[(2S)-1-tert-butylpyrrolidin-2-yl]methyl]-4-chloro-6-methylpyrrolo[2,3-d]pyrimidine
CID 89189339
4-chloro-6-methyl-7-(2-methylsulfanylethoxymethyl)pyrrolo[2,3-d]pyrimidine
CID 171513217
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
4-methyl-6-(2-pyrrolidin-2-ylethyl)pyrimidine
CID 83858553
6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71642006
2-(5-chlorofuran-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164355
1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole
CID 82492295
4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
CID 97163146
3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole
CID 84793009
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 154465619
2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 102819887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine (CID 141348841) is 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine is Cc1cc2c(Cl)ncnc2n1CC1CCCN1.
What is the InChIKey of 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is QZXCRTTXHZCUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-5-10-11(13)15-7-16-12(10)17(8)6-9-3-2-4-14-9/h5,7,9,14H,2-4,6H2,1H3.
What are the key properties of 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine?
4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 250.73 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141348841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).