6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine

C14H22N4O — CID 80812889

IUPAC6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCOC3CCCC32)ncn1
InChIInChI=1S/C14H22N4O/c1-2-6-15-13-9-14(17-10-16-13)18-7-8-19-12-5-3-4-11(12)18/h9-12H,2-8H2,1H3,(H,15,16,17)
InChIKeyFEZFATQQOFBQRF-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.06
Rot. Bonds4

About 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine

6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine (PubChem CID 80812889) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
PubChem CID80812889
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCOC3CCCC32)ncn1
InChIInChI=1S/C14H22N4O/c1-2-6-15-13-9-14(17-10-16-13)18-7-8-19-12-5-3-4-11(12)18/h9-12H,2-8H2,1H3,(H,15,16,17)
InChIKeyFEZFATQQOFBQRF-UHFFFAOYSA-N
XLogP2.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine with MolForge

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Related Compounds

6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812642
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine
CID 80812470
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80791082
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80791554
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80843361
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3,5-dichloro-N-propylpyridin-2-amine
CID 102757483
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80775506
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62289596
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62288156
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80764701
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-propylpyrimidin-4-amine
CID 80831792
[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 113401820

Frequently Asked Questions

What is the IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine (CID 80812889) is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCOC3CCCC32)ncn1.
What is the InChIKey of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine?
The InChIKey is FEZFATQQOFBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-6-15-13-9-14(17-10-16-13)18-7-8-19-12-5-3-4-11(12)18/h9-12H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine?
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80812889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).