N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine

C16H20N4S — CID 98894515

IUPACN-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine
SMILESc1cnc(NC2CC3(CCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C16H20N4S/c1-3-14(21-8-1)11-20-7-4-16(12-20)9-13(10-16)19-15-17-5-2-6-18-15/h1-3,5-6,8,13H,4,7,9-12H2,(H,17,18,19)
InChIKeyZEJHADORSRXDCF-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.00
Rot. Bonds4

About N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine

N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine (PubChem CID 98894515) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine
PubChem CID98894515
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC NameN-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine
SMILESc1cnc(NC2CC3(CCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C16H20N4S/c1-3-14(21-8-1)11-20-7-4-16(12-20)9-13(10-16)19-15-17-5-2-6-18-15/h1-3,5-6,8,13H,4,7,9-12H2,(H,17,18,19)
InChIKeyZEJHADORSRXDCF-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-N-pyrimidin-2-yl-7-(thiophen-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778004
6-[(2-methylpyrimidin-5-yl)methyl]-N-pyrimidin-2-yl-6-azaspiro[3.4]octan-2-amine
CID 98894753
(3S,5R)-N-(3-fluoro-2-pyridinyl)-7-(thiophen-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486151
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
(5S)-2-pyrimidin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472314
(5S)-10-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472200
7-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-amine
CID 98894829
(3S,5S)-N-pyrimidin-2-yl-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97371093
(3S,5R)-N-pyrimidin-2-yl-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97371091
N-pyrimidin-2-yl-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131651708
N-(5-fluoropyrimidin-2-yl)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 171697134
N-pyrimidin-2-yl-6-(trifluoromethylsulfonyl)-6-azaspiro[3.4]octan-2-amine
CID 98894609

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine?
The IUPAC name of N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine (CID 98894515) is N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine is c1cnc(NC2CC3(CCN(Cc4cccs4)C3)C2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine?
The InChIKey is ZEJHADORSRXDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-3-14(21-8-1)11-20-7-4-16(12-20)9-13(10-16)19-15-17-5-2-6-18-15/h1-3,5-6,8,13H,4,7,9-12H2,(H,17,18,19).
What are the key properties of N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine?
N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine has a molecular weight of 300.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-6-(thiophen-2-ylmethyl)-6-azaspiro[3.4]octan-2-amine is sourced from PubChem (CID 98894515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).