7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine

C10H12ClN3 — CID 164757921

IUPAC7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine
SMILESCC(C)c1ncnc2c(Cl)cn(C)c12
InChIInChI=1S/C10H12ClN3/c1-6(2)8-10-9(13-5-12-8)7(11)4-14(10)3/h4-6H,1-3H3
InChIKeyMUBOQVFOHGRNTM-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.75
Rot. Bonds1

About 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine

7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine (PubChem CID 164757921) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine
PubChem CID164757921
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine
SMILESCC(C)c1ncnc2c(Cl)cn(C)c12
InChIInChI=1S/C10H12ClN3/c1-6(2)8-10-9(13-5-12-8)7(11)4-14(10)3/h4-6H,1-3H3
InChIKeyMUBOQVFOHGRNTM-UHFFFAOYSA-N
XLogP2.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine
CID 164758112
6-chloro-5-methoxy-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine
CID 164757978
4-chloro-5-iodo-6-propan-2-ylpyrimidine
CID 11471590
4-fluoro-1-methyl-8-propan-2-ylimidazo[4,5-g]quinazoline
CID 164758216
4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine
CID 159878349
7-methyl-4-propan-2-ylpyrido[3,4-d]pyrimidin-6-one
CID 164757976
6-chloro-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 168797566
5-chloro-2,4-di(propan-2-yl)pyrimidine
CID 121312283
4-chloro-3-propan-2-yl-1-propylpyrazole
CID 90195347
4,5-dichloro-2-propan-2-ylpyrimidine
CID 58333528
6,7-dichloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-4-hydroxy-1,8-naphthyridin-2-one
CID 156732178
4-ethyl-6-propan-2-ylpyrimidin-5-ol
CID 143740728

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine (CID 164757921) is 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine is CC(C)c1ncnc2c(Cl)cn(C)c12.
What is the InChIKey of 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine?
The InChIKey is MUBOQVFOHGRNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-6(2)8-10-9(13-5-12-8)7(11)4-14(10)3/h4-6H,1-3H3.
What are the key properties of 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine?
7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine has a molecular weight of 209.68 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-4-propan-2-ylpyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 164757921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).