4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

C8H10ClN3 — CID 58336173

IUPAC4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(n1)N(C)CC2
InChIInChI=1S/C8H10ClN3/c1-5-10-7(9)6-3-4-12(2)8(6)11-5/h3-4H2,1-2H3
InChIKeyBYBLWICIUUKHTF-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.43
Rot. Bonds

About 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 58336173) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID58336173
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(n1)N(C)CC2
InChIInChI=1S/C8H10ClN3/c1-5-10-7(9)6-3-4-12(2)8(6)11-5/h3-4H2,1-2H3
InChIKeyBYBLWICIUUKHTF-UHFFFAOYSA-N
XLogP1.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 80971319
4,6-Dichloro-5-ethyl-2-methylpyrimidine
CID 21912425
4-Chloro-5,6-dimethyl-2-(1-pyrrolidinyl)pyrimidine
CID 28064073
4-Chloro-7-cyclopropyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 56965814
4,6-Dichloro-2,5-diethylpyrimidine
CID 63611312
4-Chloro-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidine
CID 45789731
4-Chloro-6,7-dihydro-2-(methylthio)-5H-pyrrolo(2,3-d)pyrimidine
CID 89175482
2,4-dichloro-5-fluoro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 57990359
6-chloro-5-ethyl-2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 133371426
4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 10192635
2-Methyl-5,6-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 13556179
4,6-Dichloro-2-methyl-5-(1-methylethyl)pyrimidine
CID 20231579

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 58336173) is 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is Cc1nc(Cl)c2c(n1)N(C)CC2.
What is the InChIKey of 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is BYBLWICIUUKHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-5-10-7(9)6-3-4-12(2)8(6)11-5/h3-4H2,1-2H3.
What are the key properties of 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 183.64 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58336173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).