4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide

C12H14ClFN4O2 — CID 83103480

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C12H14ClFN4O2/c13-12-15-5-8(14)10(17-12)18-3-4-20-6-9(18)11(19)16-7-1-2-7/h5,7,9H,1-4,6H2,(H,16,19)
InChIKeyLNCIQTLEVZIDNB-UHFFFAOYSA-N
MW300.72 g/mol
LogP0.75
Rot. Bonds3

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide

4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83103480) has the molecular formula C12H14ClFN4O2 and a molecular weight of 300.72 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83103480
Molecular FormulaC12H14ClFN4O2
Molecular Weight300.72 g/mol
Exact Mass300.08
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1c1nc(Cl)ncc1F
InChIInChI=1S/C12H14ClFN4O2/c13-12-15-5-8(14)10(17-12)18-3-4-20-6-9(18)11(19)16-7-1-2-7/h5,7,9H,1-4,6H2,(H,16,19)
InChIKeyLNCIQTLEVZIDNB-UHFFFAOYSA-N
XLogP0.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide (CID 83103480) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1c1nc(Cl)ncc1F.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is LNCIQTLEVZIDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4O2/c13-12-15-5-8(14)10(17-12)18-3-4-20-6-9(18)11(19)16-7-1-2-7/h5,7,9H,1-4,6H2,(H,16,19).
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide?
4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 300.72 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83103480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).