chloro 2-cyclopropylpyrimidine-4-carboxylate

C8H7ClN2O2 — CID 130362648

IUPACchloro 2-cyclopropylpyrimidine-4-carboxylate
SMILESO=C(OCl)c1ccnc(C2CC2)n1
InChIInChI=1S/C8H7ClN2O2/c9-13-8(12)6-3-4-10-7(11-6)5-1-2-5/h3-5H,1-2H2
InChIKeyAKTXOEUZWDUNMU-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.66
Rot. Bonds2

About chloro 2-cyclopropylpyrimidine-4-carboxylate

chloro 2-cyclopropylpyrimidine-4-carboxylate (PubChem CID 130362648) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is chloro 2-cyclopropylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namechloro 2-cyclopropylpyrimidine-4-carboxylate
PubChem CID130362648
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Namechloro 2-cyclopropylpyrimidine-4-carboxylate
SMILESO=C(OCl)c1ccnc(C2CC2)n1
InChIInChI=1S/C8H7ClN2O2/c9-13-8(12)6-3-4-10-7(11-6)5-1-2-5/h3-5H,1-2H2
InChIKeyAKTXOEUZWDUNMU-UHFFFAOYSA-N
XLogP1.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of chloro 2-cyclopropylpyrimidine-4-carboxylate?
The IUPAC name of chloro 2-cyclopropylpyrimidine-4-carboxylate (CID 130362648) is chloro 2-cyclopropylpyrimidine-4-carboxylate.
What is the SMILES notation for chloro 2-cyclopropylpyrimidine-4-carboxylate?
The canonical SMILES for chloro 2-cyclopropylpyrimidine-4-carboxylate is O=C(OCl)c1ccnc(C2CC2)n1.
What is the InChIKey of chloro 2-cyclopropylpyrimidine-4-carboxylate?
The InChIKey is AKTXOEUZWDUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-13-8(12)6-3-4-10-7(11-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of chloro 2-cyclopropylpyrimidine-4-carboxylate?
chloro 2-cyclopropylpyrimidine-4-carboxylate has a molecular weight of 198.61 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-cyclopropylpyrimidine-4-carboxylate is sourced from PubChem (CID 130362648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).