6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one

C17H16FN5O — CID 139023458

IUPAC6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CCNc1ncnc2cc(F)ccc12
InChIInChI=1S/C17H16FN5O/c18-12-3-4-13-15(7-12)20-9-21-17(13)19-5-6-23-10-22-14(8-16(23)24)11-1-2-11/h3-4,7-11H,1-2,5-6H2,(H,19,20,21)
InChIKeyNMARZDHXSPBLIT-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.32
Rot. Bonds5

About 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one (PubChem CID 139023458) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one
PubChem CID139023458
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CCNc1ncnc2cc(F)ccc12
InChIInChI=1S/C17H16FN5O/c18-12-3-4-13-15(7-12)20-9-21-17(13)19-5-6-23-10-22-14(8-16(23)24)11-1-2-11/h3-4,7-11H,1-2,5-6H2,(H,19,20,21)
InChIKeyNMARZDHXSPBLIT-UHFFFAOYSA-N
XLogP2.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one (CID 139023458) is 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CCNc1ncnc2cc(F)ccc12.
What is the InChIKey of 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one?
The InChIKey is NMARZDHXSPBLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-12-3-4-13-15(7-12)20-9-21-17(13)19-5-6-23-10-22-14(8-16(23)24)11-1-2-11/h3-4,7-11H,1-2,5-6H2,(H,19,20,21).
What are the key properties of 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one?
6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one has a molecular weight of 325.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 139023458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).