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

C18H25N5O2 — CID 124912777

IUPAC5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCC[C@@H]2CCOC23CN(Cc2cc(C)on2)C3)nc1
InChIInChI=1S/C18H25N5O2/c1-13-8-20-17(21-9-13)19-5-3-15-4-6-24-18(15)11-23(12-18)10-16-7-14(2)25-22-16/h7-9,15H,3-6,10-12H2,1-2H3,(H,19,20,21)/t15-/m1/s1
InChIKeyGVUSDGYDSIECRB-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.17
Rot. Bonds6

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

5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (PubChem CID 124912777) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
PubChem CID124912777
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
SMILESCc1cnc(NCC[C@@H]2CCOC23CN(Cc2cc(C)on2)C3)nc1
InChIInChI=1S/C18H25N5O2/c1-13-8-20-17(21-9-13)19-5-3-15-4-6-24-18(15)11-23(12-18)10-16-7-14(2)25-22-16/h7-9,15H,3-6,10-12H2,1-2H3,(H,19,20,21)/t15-/m1/s1
InChIKeyGVUSDGYDSIECRB-OAHLLOKOSA-N
XLogP2.17
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (CID 124912777) is 5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-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-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is Cc1cnc(NCC[C@@H]2CCOC23CN(Cc2cc(C)on2)C3)nc1.
What is the InChIKey of 5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?
The InChIKey is GVUSDGYDSIECRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-8-20-17(21-9-13)19-5-3-15-4-6-24-18(15)11-23(12-18)10-16-7-14(2)25-22-16/h7-9,15H,3-6,10-12H2,1-2H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of 5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?
5-methyl-N-[2-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine has a molecular weight of 343.43 g/mol, XLogP of 2.17, 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-[(8R)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 124912777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).