5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine

C19H17ClN8O — CID 146304876

IUPAC5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESCC(Cn1cnnn1)Oc1cc(-c2cnc(Nc3ccccn3)nc2)ccc1Cl
InChIInChI=1S/C19H17ClN8O/c1-13(11-28-12-24-26-27-28)29-17-8-14(5-6-16(17)20)15-9-22-19(23-10-15)25-18-4-2-3-7-21-18/h2-10,12-13H,11H2,1H3,(H,21,22,23,25)
InChIKeyNEGYJLPDMTUZRS-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.39
Rot. Bonds7

About 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine

5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 146304876) has the molecular formula C19H17ClN8O and a molecular weight of 408.85 g/mol. Its IUPAC name is 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID146304876
Molecular FormulaC19H17ClN8O
Molecular Weight408.85 g/mol
Exact Mass408.12
IUPAC Name5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESCC(Cn1cnnn1)Oc1cc(-c2cnc(Nc3ccccn3)nc2)ccc1Cl
InChIInChI=1S/C19H17ClN8O/c1-13(11-28-12-24-26-27-28)29-17-8-14(5-6-16(17)20)15-9-22-19(23-10-15)25-18-4-2-3-7-21-18/h2-10,12-13H,11H2,1H3,(H,21,22,23,25)
InChIKeyNEGYJLPDMTUZRS-UHFFFAOYSA-N
XLogP3.39
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-3-ylpyrimidin-2-amine
CID 146304885
5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyridin-4-ylpyrimidin-2-amine
CID 146305090
5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-(2-methylsulfanylphenyl)pyrimidin-2-amine
CID 146305319
5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-N-pyrimidin-5-ylpyrimidin-2-amine
CID 146305097
5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-(5-fluoro-2-methoxyphenyl)pyrimidin-2-amine
CID 146305147
N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]-2,3-dihydro-1H-indol-6-amine;hydrochloride
CID 146304893
4-(4-chlorophenyl)-N-[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]thiadiazol-5-amine
CID 161026900
5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]cyclohexyl]-3-(pyrimidin-2-ylmethoxy)pyrazol-4-yl]pyrimidin-2-amine
CID 146445594
4-[4-[[5-[4-chloro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrimidin-2-yl]amino]-3-propan-2-yloxypyrazol-1-yl]cyclohexan-1-one
CID 146470213
5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-(pyrimidin-2-ylmethoxy)pyrazol-4-yl]pyrimidin-2-amine
CID 146446041
5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-[1-(4-morpholin-4-ylcyclohexyl)-3-(2-pyridin-2-ylethoxy)pyrazol-4-yl]pyrimidin-2-amine
CID 146446638
5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-(5-fluoro-2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 146304800

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine (CID 146304876) is 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine is CC(Cn1cnnn1)Oc1cc(-c2cnc(Nc3ccccn3)nc2)ccc1Cl.
What is the InChIKey of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is NEGYJLPDMTUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN8O/c1-13(11-28-12-24-26-27-28)29-17-8-14(5-6-16(17)20)15-9-22-19(23-10-15)25-18-4-2-3-7-21-18/h2-10,12-13H,11H2,1H3,(H,21,22,23,25).
What are the key properties of 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine?
5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 408.85 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-[1-(tetrazol-1-yl)propan-2-yloxy]phenyl]-N-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 146304876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).