N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine

C16H14ClFN6O — CID 156693875

IUPACN-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine
SMILESFc1ccc2c(Nc3nc(Cl)cc(N4CCOCC4)n3)ncnc2c1
InChIInChI=1S/C16H14ClFN6O/c17-13-8-14(24-3-5-25-6-4-24)22-16(21-13)23-15-11-2-1-10(18)7-12(11)19-9-20-15/h1-2,7-9H,3-6H2,(H,19,20,21,22,23)
InChIKeyMWNAXMIANPVTIW-UHFFFAOYSA-N
MW360.78 g/mol
LogP2.79
Rot. Bonds3

About N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine

N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine (PubChem CID 156693875) has the molecular formula C16H14ClFN6O and a molecular weight of 360.78 g/mol. Its IUPAC name is N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine
PubChem CID156693875
Molecular FormulaC16H14ClFN6O
Molecular Weight360.78 g/mol
Exact Mass360.09
IUPAC NameN-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine
SMILESFc1ccc2c(Nc3nc(Cl)cc(N4CCOCC4)n3)ncnc2c1
InChIInChI=1S/C16H14ClFN6O/c17-13-8-14(24-3-5-25-6-4-24)22-16(21-13)23-15-11-2-1-10(18)7-12(11)19-9-20-15/h1-2,7-9H,3-6H2,(H,19,20,21,22,23)
InChIKeyMWNAXMIANPVTIW-UHFFFAOYSA-N
XLogP2.79
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine
CID 164897040
2-[4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]-7-methoxyquinazolin-6-yl]pentanediamide
CID 175759969
N-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-7-methoxy-6-nitroquinazolin-4-amine
CID 164897053
4-chloro-6-morpholin-4-yl-N-(3-pyridin-3-ylphenyl)pyrimidin-2-amine
CID 59333833
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
N-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 138038403
[4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 74539655
4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 23381719
3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one
CID 72849237
4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]bicyclo[2.2.1]heptan-1-ol
CID 169246390
1-benzyl-3-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)thiourea
CID 100780982
4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine
CID 59529076

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine?
The IUPAC name of N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine (CID 156693875) is N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine?
The canonical SMILES for N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine is Fc1ccc2c(Nc3nc(Cl)cc(N4CCOCC4)n3)ncnc2c1.
What is the InChIKey of N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine?
The InChIKey is MWNAXMIANPVTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN6O/c17-13-8-14(24-3-5-25-6-4-24)22-16(21-13)23-15-11-2-1-10(18)7-12(11)19-9-20-15/h1-2,7-9H,3-6H2,(H,19,20,21,22,23).
What are the key properties of N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine?
N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine has a molecular weight of 360.78 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine is sourced from PubChem (CID 156693875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).