N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C19H29N5O2 — CID 97205852

IUPACN-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESC=CCc1c(C)nc(N)nc1N1CCC2(CC[C@H](CNC(C)=O)O2)CC1
InChIInChI=1S/C19H29N5O2/c1-4-5-16-13(2)22-18(20)23-17(16)24-10-8-19(9-11-24)7-6-15(26-19)12-21-14(3)25/h4,15H,1,5-12H2,2-3H3,(H,21,25)(H2,20,22,23)/t15-/m1/s1
InChIKeyNXVZQHYQUUIRGT-OAHLLOKOSA-N
MW359.47 g/mol
LogP1.75
Rot. Bonds5

About N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 97205852) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID97205852
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC NameN-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESC=CCc1c(C)nc(N)nc1N1CCC2(CC[C@H](CNC(C)=O)O2)CC1
InChIInChI=1S/C19H29N5O2/c1-4-5-16-13(2)22-18(20)23-17(16)24-10-8-19(9-11-24)7-6-15(26-19)12-21-14(3)25/h4,15H,1,5-12H2,2-3H3,(H,21,25)(H2,20,22,23)/t15-/m1/s1
InChIKeyNXVZQHYQUUIRGT-OAHLLOKOSA-N
XLogP1.75
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 97205852) is N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is C=CCc1c(C)nc(N)nc1N1CCC2(CC[C@H](CNC(C)=O)O2)CC1.
What is the InChIKey of N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is NXVZQHYQUUIRGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-4-5-16-13(2)22-18(20)23-17(16)24-10-8-19(9-11-24)7-6-15(26-19)12-21-14(3)25/h4,15H,1,5-12H2,2-3H3,(H,21,25)(H2,20,22,23)/t15-/m1/s1.
What are the key properties of N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-8-(2-amino-6-methyl-5-prop-2-enylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 97205852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).