N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine

C15H20N6OS — CID 124810765

IUPACN-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
SMILESCc1nnc(N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)s1
InChIInChI=1S/C15H20N6OS/c1-11-19-20-14(23-11)21-9-15(10-21)4-3-12(8-22-15)7-18-13-16-5-2-6-17-13/h2,5-6,12H,3-4,7-10H2,1H3,(H,16,17,18)/t12-/m0/s1
InChIKeyURFIMEPOWCQNHC-LBPRGKRZSA-N
MW332.43 g/mol
LogP1.73
Rot. Bonds4

About N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine

N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine (PubChem CID 124810765) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
PubChem CID124810765
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC NameN-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
SMILESCc1nnc(N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)s1
InChIInChI=1S/C15H20N6OS/c1-11-19-20-14(23-11)21-9-15(10-21)4-3-12(8-22-15)7-18-13-16-5-2-6-17-13/h2,5-6,12H,3-4,7-10H2,1H3,(H,16,17,18)/t12-/m0/s1
InChIKeyURFIMEPOWCQNHC-LBPRGKRZSA-N
XLogP1.73
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[[2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155830548
N-[[2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 171696552
N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
CID 124810763
5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
CID 124912766
5-methyl-N-[2-[(8S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
CID 124912767
N-[[2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
CID 131654731
5-methyl-N-[2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
CID 131657133

Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine (CID 124810765) is N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine is Cc1nnc(N2CC3(CC[C@@H](CNc4ncccn4)CO3)C2)s1.
What is the InChIKey of N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
The InChIKey is URFIMEPOWCQNHC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-11-19-20-14(23-11)21-9-15(10-21)4-3-12(8-22-15)7-18-13-16-5-2-6-17-13/h2,5-6,12H,3-4,7-10H2,1H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine?
N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine has a molecular weight of 332.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 124810765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).