N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C13H11ClFN3O — CID 167974744

IUPACN-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3c2COCC3)cc1Cl
InChIInChI=1S/C13H11ClFN3O/c14-10-5-8(1-2-11(10)15)18-13-9-6-19-4-3-12(9)16-7-17-13/h1-2,5,7H,3-4,6H2,(H,16,17,18)
InChIKeyHAKFBQQRJQIBIB-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.09
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 167974744) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID167974744
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESFc1ccc(Nc2ncnc3c2COCC3)cc1Cl
InChIInChI=1S/C13H11ClFN3O/c14-10-5-8(1-2-11(10)15)18-13-9-6-19-4-3-12(9)16-7-17-13/h1-2,5,7H,3-4,6H2,(H,16,17,18)
InChIKeyHAKFBQQRJQIBIB-UHFFFAOYSA-N
XLogP3.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
N-(3-chloro-4-fluorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 10216482
N-(3-chloro-4-fluorophenyl)-6,7,8,9-tetrahydro-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 123522487
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
6-N-(3-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152959
N-(3-chloro-4-fluorophenyl)-7-(oxolan-3-yloxy)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 143534857
N-(3-chloro-4-fluorophenyl)-9-cyclopropylpurin-6-amine
CID 154829347
1-[3-[[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547514
N-(3-chloro-4-fluorophenyl)-6-(oxolan-3-yloxy)pyrimido[5,4-d]pyrimidin-4-amine
CID 18946137
4-N-(3-chloro-4-fluorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754783
4-N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136643

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 167974744) is N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is Fc1ccc(Nc2ncnc3c2COCC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is HAKFBQQRJQIBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-10-5-8(1-2-11(10)15)18-13-9-6-19-4-3-12(9)16-7-17-13/h1-2,5,7H,3-4,6H2,(H,16,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 279.70 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167974744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).