[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine

C14H22N4O — CID 107541866

IUPAC[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C14H22N4O/c1-10-8-11(9-15)17-14(16-10)18-6-7-19-13-5-3-2-4-12(13)18/h8,12-13H,2-7,9,15H2,1H3
InChIKeyYDRZLOJTSRLELT-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.39
Rot. Bonds2

About [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine

[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine (PubChem CID 107541866) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine
PubChem CID107541866
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C14H22N4O/c1-10-8-11(9-15)17-14(16-10)18-6-7-19-13-5-3-2-4-12(13)18/h8,12-13H,2-7,9,15H2,1H3
InChIKeyYDRZLOJTSRLELT-UHFFFAOYSA-N
XLogP1.39
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4aR,8aR)-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 98775699
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80791554
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80812190
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methylaniline
CID 113333738
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)pyrimidin-5-yl]ethanamine
CID 113388520
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol
CID 82986489
[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542020
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 81060456
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-methylpyridin-4-amine
CID 83265140
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80790608
[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine (CID 107541866) is [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(N2CCOC3CCCCC32)n1.
What is the InChIKey of [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is YDRZLOJTSRLELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-11(9-15)17-14(16-10)18-6-7-19-13-5-3-2-4-12(13)18/h8,12-13H,2-7,9,15H2,1H3.
What are the key properties of [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine?
[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 262.36 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 107541866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).