6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine

C13H11ClFN5 — CID 162747889

IUPAC6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine
SMILESCc1c(Nc2ncc3cc(Cl)c(F)cc3n2)cnn1C
InChIInChI=1S/C13H11ClFN5/c1-7-12(6-17-20(7)2)19-13-16-5-8-3-9(14)10(15)4-11(8)18-13/h3-6H,1-2H3,(H,16,18,19)
InChIKeyCSCXULLNWWSVQD-UHFFFAOYSA-N
MW291.72 g/mol
LogP3.21
Rot. Bonds2

About 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine

6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine (PubChem CID 162747889) has the molecular formula C13H11ClFN5 and a molecular weight of 291.72 g/mol. Its IUPAC name is 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine
PubChem CID162747889
Molecular FormulaC13H11ClFN5
Molecular Weight291.72 g/mol
Exact Mass291.07
IUPAC Name6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine
SMILESCc1c(Nc2ncc3cc(Cl)c(F)cc3n2)cnn1C
InChIInChI=1S/C13H11ClFN5/c1-7-12(6-17-20(7)2)19-13-16-5-8-3-9(14)10(15)4-11(8)18-13/h3-6H,1-2H3,(H,16,18,19)
InChIKeyCSCXULLNWWSVQD-UHFFFAOYSA-N
XLogP3.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine
CID 175881515
4-[4-[6-chloro-2-[(1,5-dimethylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326767
N-(1-ethyl-5-methylpyrazol-4-yl)-6,7-dimethylquinazolin-2-amine
CID 156730609
6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine
CID 156730649
N-(1,5-dimethylpyrazol-4-yl)-5-fluoro-4-(3-methyl-5-nitroindol-1-yl)pyrimidin-2-amine
CID 164911698
1-[3-[[5-chloro-2-[(1,5-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-fluoroanilino]prop-2-en-1-ol
CID 146424429
4-chloro-N-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-amine;2-[(1,5-dimethylpyrazol-4-yl)amino]-1H-pyrimidin-6-one
CID 162023158
6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane
CID 156730670
(1S)-2-[4-[6-chloro-2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-1-(3,5-difluorophenyl)ethanol
CID 167326540
6-chloro-N-(5-methyl-1-propylpyrazol-4-yl)-7-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156730602
6-chloro-7-[4-(5,5-dimethyloxolan-3-yl)piperazin-1-yl]-N-(5-methyl-1-propylpyrazol-4-yl)quinazolin-2-amine
CID 162747854
1-[6-chloro-2-[[1-[(1R,2R)-2-methoxycyclobutyl]-5-methylpyrazol-4-yl]amino]quinazolin-7-yl]-4-methylpiperidin-4-ol
CID 175940412

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine?
The IUPAC name of 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine (CID 162747889) is 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine?
The canonical SMILES for 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine is Cc1c(Nc2ncc3cc(Cl)c(F)cc3n2)cnn1C.
What is the InChIKey of 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine?
The InChIKey is CSCXULLNWWSVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN5/c1-7-12(6-17-20(7)2)19-13-16-5-8-3-9(14)10(15)4-11(8)18-13/h3-6H,1-2H3,(H,16,18,19).
What are the key properties of 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine?
6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine has a molecular weight of 291.72 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,5-dimethylpyrazol-4-yl)-7-fluoroquinazolin-2-amine is sourced from PubChem (CID 162747889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).