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

C17H19N5O — CID 175863316

IUPAC2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
SMILESCC1CNc2nc(CCc3c[nH]c4ccccc34)nc(N)c2O1
InChIInChI=1S/C17H19N5O/c1-10-8-20-17-15(23-10)16(18)21-14(22-17)7-6-11-9-19-13-5-3-2-4-12(11)13/h2-5,9-10,19H,6-8H2,1H3,(H3,18,20,21,22)
InChIKeyZNGLMENPDVSGIT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.52
Rot. Bonds3

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

2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine (PubChem CID 175863316) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
PubChem CID175863316
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
SMILESCC1CNc2nc(CCc3c[nH]c4ccccc34)nc(N)c2O1
InChIInChI=1S/C17H19N5O/c1-10-8-20-17-15(23-10)16(18)21-14(22-17)7-6-11-9-19-13-5-3-2-4-12(11)13/h2-5,9-10,19H,6-8H2,1H3,(H3,18,20,21,22)
InChIKeyZNGLMENPDVSGIT-UHFFFAOYSA-N
XLogP2.52
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
CID 175974305
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3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one
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4-[2-(1H-indol-3-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-amine
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CID 136903472
4-[2-(1H-indol-3-yl)ethyl]benzene-1,3-diamine
CID 58608980
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
2-methylpiperazine;3-propyl-1H-indole
CID 143269934
1H-indol-3-ylmethyl(dimethyl)azanium chloride
CID 45033090
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106391408

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine (CID 175863316) is 2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine is CC1CNc2nc(CCc3c[nH]c4ccccc34)nc(N)c2O1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
The InChIKey is ZNGLMENPDVSGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-10-8-20-17-15(23-10)16(18)21-14(22-17)7-6-11-9-19-13-5-3-2-4-12(11)13/h2-5,9-10,19H,6-8H2,1H3,(H3,18,20,21,22).
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine?
2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-6-methyl-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine is sourced from PubChem (CID 175863316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).