N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine

C18H25N5OS — CID 97487565

IUPACN-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
SMILESCc1ncsc1CN1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1
InChIInChI=1S/C18H25N5OS/c1-14-16(25-13-22-14)11-23-9-6-18(12-23)5-2-4-15(24-18)10-21-17-19-7-3-8-20-17/h3,7-8,13,15H,2,4-6,9-12H2,1H3,(H,19,20,21)/t15-,18-/m1/s1
InChIKeyTYIHAWZTTNGRNG-CRAIPNDOSA-N
MW359.50 g/mol
LogP2.87
Rot. Bonds5

About N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine

N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine (PubChem CID 97487565) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
PubChem CID97487565
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
SMILESCc1ncsc1CN1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1
InChIInChI=1S/C18H25N5OS/c1-14-16(25-13-22-14)11-23-9-6-18(12-23)5-2-4-15(24-18)10-21-17-19-7-3-8-20-17/h3,7-8,13,15H,2,4-6,9-12H2,1H3,(H,19,20,21)/t15-,18-/m1/s1
InChIKeyTYIHAWZTTNGRNG-CRAIPNDOSA-N
XLogP2.87
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine (CID 97487565) is N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine is Cc1ncsc1CN1CC[C@]2(CCC[C@H](CNc3ncccn3)O2)C1.
What is the InChIKey of N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine?
The InChIKey is TYIHAWZTTNGRNG-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-14-16(25-13-22-14)11-23-9-6-18(12-23)5-2-4-15(24-18)10-21-17-19-7-3-8-20-17/h3,7-8,13,15H,2,4-6,9-12H2,1H3,(H,19,20,21)/t15-,18-/m1/s1.
What are the key properties of N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine?
N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine has a molecular weight of 359.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7R)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97487565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).