5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine

C18H25N5OS — CID 124912854

IUPAC5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCC[C@H]2CCOC23CN(Cc2nc(C)cs2)C3)nc1
InChIInChI=1S/C18H25N5OS/c1-13-7-20-17(21-8-13)19-5-3-15-4-6-24-18(15)11-23(12-18)9-16-22-14(2)10-25-16/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyJWRZLYDOWVXSFD-HNNXBMFYSA-N
MW359.50 g/mol
LogP2.64
Rot. Bonds6

About 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine

5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (PubChem CID 124912854) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
PubChem CID124912854
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCC[C@H]2CCOC23CN(Cc2nc(C)cs2)C3)nc1
InChIInChI=1S/C18H25N5OS/c1-13-7-20-17(21-8-13)19-5-3-15-4-6-24-18(15)11-23(12-18)9-16-22-14(2)10-25-16/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,19,20,21)/t15-/m0/s1
InChIKeyJWRZLYDOWVXSFD-HNNXBMFYSA-N
XLogP2.64
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99928673
5-[[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 164632578
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394659
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97394660
(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818292
(3R,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818293
(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124810971
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124810972
N-(5-fluoropyrimidin-2-yl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131645560
2-(5-Fluoropyrimidin-2-yl)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 131659342
5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155861239
5-methyl-N-[2-[2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155866249

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (CID 124912854) is 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is Cc1cnc(NCC[C@H]2CCOC23CN(Cc2nc(C)cs2)C3)nc1.
What is the InChIKey of 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?
The InChIKey is JWRZLYDOWVXSFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13-7-20-17(21-8-13)19-5-3-15-4-6-24-18(15)11-23(12-18)9-16-22-14(2)10-25-16/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,19,20,21)/t15-/m0/s1.
What are the key properties of 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?
5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine has a molecular weight of 359.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 124912854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).