2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine

C16H15ClFN5O — CID 171573043

IUPAC2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
SMILESFc1ccc2c(CCNc3nc(Cl)nc4c3OCCN4)c[nH]c2c1
InChIInChI=1S/C16H15ClFN5O/c17-16-22-14(13-15(23-16)20-5-6-24-13)19-4-3-9-8-21-12-7-10(18)1-2-11(9)12/h1-2,7-8,21H,3-6H2,(H2,19,20,22,23)
InChIKeyWLMSTTQDDFIVLX-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine

2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine (PubChem CID 171573043) has the molecular formula C16H15ClFN5O and a molecular weight of 347.78 g/mol. Its IUPAC name is 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
PubChem CID171573043
Molecular FormulaC16H15ClFN5O
Molecular Weight347.78 g/mol
Exact Mass347.09
IUPAC Name2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
SMILESFc1ccc2c(CCNc3nc(Cl)nc4c3OCCN4)c[nH]c2c1
InChIInChI=1S/C16H15ClFN5O/c17-16-22-14(13-15(23-16)20-5-6-24-13)19-4-3-9-8-21-12-7-10(18)1-2-11(9)12/h1-2,7-8,21H,3-6H2,(H2,19,20,22,23)
InChIKeyWLMSTTQDDFIVLX-UHFFFAOYSA-N
XLogP3.21
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine with MolForge

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Related Compounds

(7R)-2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7-(methoxymethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
CID 171572975
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
CID 133360584
6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-8-(oxetan-3-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine
CID 171573004
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine
CID 171572995
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2-(6-fluoro-1H-indol-3-yl)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 49465645
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
2-chloro-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine
CID 146598277
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 133278312

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
The IUPAC name of 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine (CID 171573043) is 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine is Fc1ccc2c(CCNc3nc(Cl)nc4c3OCCN4)c[nH]c2c1.
What is the InChIKey of 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
The InChIKey is WLMSTTQDDFIVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O/c17-16-22-14(13-15(23-16)20-5-6-24-13)19-4-3-9-8-21-12-7-10(18)1-2-11(9)12/h1-2,7-8,21H,3-6H2,(H2,19,20,22,23).
What are the key properties of 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine has a molecular weight of 347.78 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine is sourced from PubChem (CID 171573043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).