4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

C9H10ClN3 — CID 10192635

IUPAC4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(C2CC2)nc2c1CCN2
InChIInChI=1S/C9H10ClN3/c10-7-6-3-4-11-9(6)13-8(12-7)5-1-2-5/h5H,1-4H2,(H,11,12,13)
InChIKeyHDVSMWOKBHCLFT-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.98
Rot. Bonds1

About 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 10192635) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID10192635
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(C2CC2)nc2c1CCN2
InChIInChI=1S/C9H10ClN3/c10-7-6-3-4-11-9(6)13-8(12-7)5-1-2-5/h5H,1-4H2,(H,11,12,13)
InChIKeyHDVSMWOKBHCLFT-UHFFFAOYSA-N
XLogP1.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CID 10192635) is 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is Clc1nc(C2CC2)nc2c1CCN2.
What is the InChIKey of 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is HDVSMWOKBHCLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c10-7-6-3-4-11-9(6)13-8(12-7)5-1-2-5/h5H,1-4H2,(H,11,12,13).
What are the key properties of 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine?
4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 195.65 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 10192635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).