2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine

C10H12ClN3 — CID 156592018

IUPAC2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine
SMILESCC(C)Cn1ccc2cnc(Cl)nc21
InChIInChI=1S/C10H12ClN3/c1-7(2)6-14-4-3-8-5-12-10(11)13-9(8)14/h3-5,7H,6H2,1-2H3
InChIKeyUNHZRWUCINQBDH-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.74
Rot. Bonds2

About 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine

2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 156592018) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine
PubChem CID156592018
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine
SMILESCC(C)Cn1ccc2cnc(Cl)nc21
InChIInChI=1S/C10H12ClN3/c1-7(2)6-14-4-3-8-5-12-10(11)13-9(8)14/h3-5,7H,6H2,1-2H3
InChIKeyUNHZRWUCINQBDH-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Deazaadenine
CID 5359620
7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 265827
6-Pyrrolidino-7-deazapurine
CID 4428602
4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 265829
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9859224
4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 67250071
3-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrrolidine
CID 67250742
2-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 18334366
7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 166632073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine (CID 156592018) is 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine is CC(C)Cn1ccc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is UNHZRWUCINQBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-7(2)6-14-4-3-8-5-12-10(11)13-9(8)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine?
2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 209.68 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 156592018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).