1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane

C16H20N4S — CID 97399235

IUPAC1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane
SMILESc1cnc(N2CCC23CCN(Cc2ccsc2)CC3)nc1
InChIInChI=1S/C16H20N4S/c1-6-17-15(18-7-1)20-10-5-16(20)3-8-19(9-4-16)12-14-2-11-21-13-14/h1-2,6-7,11,13H,3-5,8-10,12H2
InChIKeyKDKPCZCKWHVUFU-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.78
Rot. Bonds3

About 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane

1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane (PubChem CID 97399235) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane
PubChem CID97399235
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane
SMILESc1cnc(N2CCC23CCN(Cc2ccsc2)CC3)nc1
InChIInChI=1S/C16H20N4S/c1-6-17-15(18-7-1)20-10-5-16(20)3-8-19(9-4-16)12-14-2-11-21-13-14/h1-2,6-7,11,13H,3-5,8-10,12H2
InChIKeyKDKPCZCKWHVUFU-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,6aR)-5-pyrimidin-2-yl-2-(thiophen-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97377083
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2-[[2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370008
2-methyl-4-[[7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]methyl]-1,3-thiazole
CID 97399225
9-[(3-fluorophenyl)methyl]-3-(thiophen-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370625
(5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373760
2-(methoxymethyl)-1-methyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 131648763
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472963
1-(pyridin-3-ylmethyl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155824811
(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97370835
4-pyrimidin-2-yl-8-(thiophen-3-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 131659151
(3R)-3-pyridin-3-yl-8-(thiophen-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371135

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane (CID 97399235) is 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane is c1cnc(N2CCC23CCN(Cc2ccsc2)CC3)nc1.
What is the InChIKey of 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane?
The InChIKey is KDKPCZCKWHVUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-6-17-15(18-7-1)20-10-5-16(20)3-8-19(9-4-16)12-14-2-11-21-13-14/h1-2,6-7,11,13H,3-5,8-10,12H2.
What are the key properties of 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane?
1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane has a molecular weight of 300.43 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 97399235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).