N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine

C16H26N4O — CID 79096589

IUPACN-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(C2CN3CCCC3CO2)n1
InChIInChI=1S/C16H26N4O/c1-16(2,3)18-9-12-6-7-17-15(19-12)14-10-20-8-4-5-13(20)11-21-14/h6-7,13-14,18H,4-5,8-11H2,1-3H3
InChIKeyJZFZKTJAUNCSHD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds3

About N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79096589) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79096589
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccnc(C2CN3CCCC3CO2)n1
InChIInChI=1S/C16H26N4O/c1-16(2,3)18-9-12-6-7-17-15(19-12)14-10-20-8-4-5-13(20)11-21-14/h6-7,13-14,18H,4-5,8-11H2,1-3H3
InChIKeyJZFZKTJAUNCSHD-UHFFFAOYSA-N
XLogP1.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 79088365
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-propylpyrimidin-4-amine
CID 79089352
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 79088716
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 79088263
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 79078369
(1S)-1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431987
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 79077064
N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 65389946
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 79089440
ethyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4-methylpyrimidine-5-carboxylate
CID 102972436
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 79089379
6-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 80851211

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine (CID 79096589) is N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccnc(C2CN3CCCC3CO2)n1.
What is the InChIKey of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JZFZKTJAUNCSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)18-9-12-6-7-17-15(19-12)14-10-20-8-4-5-13(20)11-21-14/h6-7,13-14,18H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79096589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).