(5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C8H9ClN2 — CID 59670769

IUPAC(5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1CCc2ncnc(Cl)c21
InChIInChI=1S/C8H9ClN2/c1-5-2-3-6-7(5)8(9)11-4-10-6/h4-5H,2-3H2,1H3/t5-/m1/s1
InChIKeyAUMBWDKTDZHUNN-RXMQYKEDSA-N
MW168.63 g/mol
LogP2.18
Rot. Bonds

About (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

(5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 59670769) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name(5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID59670769
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name(5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1CCc2ncnc(Cl)c21
InChIInChI=1S/C8H9ClN2/c1-5-2-3-6-7(5)8(9)11-4-10-6/h4-5H,2-3H2,1H3/t5-/m1/s1
InChIKeyAUMBWDKTDZHUNN-RXMQYKEDSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 59670769) is (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C[C@@H]1CCc2ncnc(Cl)c21.
What is the InChIKey of (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is AUMBWDKTDZHUNN-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-5-2-3-6-7(5)8(9)11-4-10-6/h4-5H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
(5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 168.63 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-chloro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 59670769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).