(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

C18H19ClFN5O2 — CID 171572975

IUPAC(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
SMILESCOC[C@@H]1COc2c(NCCc3c[nH]c4cc(F)ccc34)nc(Cl)nc2N1
InChIInChI=1S/C18H19ClFN5O2/c1-26-8-12-9-27-15-16(24-18(19)25-17(15)23-12)21-5-4-10-7-22-14-6-11(20)2-3-13(10)14/h2-3,6-7,12,22H,4-5,8-9H2,1H3,(H2,21,23,24,25)/t12-/m1/s1
InChIKeyNGVBSBBMCFPRLA-GFCCVEGCSA-N
MW391.83 g/mol
LogP3.22
Rot. Bonds6

About (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

(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 (PubChem CID 171572975) has the molecular formula C18H19ClFN5O2 and a molecular weight of 391.83 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171572975
Molecular FormulaC18H19ClFN5O2
Molecular Weight391.83 g/mol
Exact Mass391.12
IUPAC Name(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
SMILESCOC[C@@H]1COc2c(NCCc3c[nH]c4cc(F)ccc34)nc(Cl)nc2N1
InChIInChI=1S/C18H19ClFN5O2/c1-26-8-12-9-27-15-16(24-18(19)25-17(15)23-12)21-5-4-10-7-22-14-6-11(20)2-3-13(10)14/h2-3,6-7,12,22H,4-5,8-9H2,1H3,(H2,21,23,24,25)/t12-/m1/s1
InChIKeyNGVBSBBMCFPRLA-GFCCVEGCSA-N
XLogP3.22
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

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
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
CID 133360584
(7R)-2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
CID 171573074
6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
6-fluoro-3-(3-methoxypropyl)-1H-indole
CID 91114487
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314
(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine
CID 171764220
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
5-(2-aminoethoxy)-2,6-dichloro-N-[2-[6-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrimidin-4-amine
CID 171572995
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
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]quinazolin-4-amine
CID 22692794

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC[C@@H]1COc2c(NCCc3c[nH]c4cc(F)ccc34)nc(Cl)nc2N1.
What is the InChIKey of (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?
The InChIKey is NGVBSBBMCFPRLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClFN5O2/c1-26-8-12-9-27-15-16(24-18(19)25-17(15)23-12)21-5-4-10-7-22-14-6-11(20)2-3-13(10)14/h2-3,6-7,12,22H,4-5,8-9H2,1H3,(H2,21,23,24,25)/t12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 391.83 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171572975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).