(5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C15H21N5O2 — CID 97491288

IUPAC(5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)N(C)C(=O)C1=NO[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H21N5O2/c1-11(2)19(3)13(21)12-9-15(22-18-12)5-8-20(10-15)14-16-6-4-7-17-14/h4,6-7,11H,5,8-10H2,1-3H3/t15-/m0/s1
InChIKeyDPBKIFJVLMJRMV-HNNXBMFYSA-N
MW303.37 g/mol
LogP1.07
Rot. Bonds3

About (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491288) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491288
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)N(C)C(=O)C1=NO[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H21N5O2/c1-11(2)19(3)13(21)12-9-15(22-18-12)5-8-20(10-15)14-16-6-4-7-17-14/h4,6-7,11H,5,8-10H2,1-3H3/t15-/m0/s1
InChIKeyDPBKIFJVLMJRMV-HNNXBMFYSA-N
XLogP1.07
TPSA70.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclopropyl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]methanone
CID 134788073
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide
CID 134790177
(5S)-7-(5-fluoropyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491341
(5R)-7-(5-fluoropyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491342
(3-cyclopropyl-3-fluoroazetidin-1-yl)-[(5S)-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl]methanone
CID 129547056
(3-cyclopropyl-3-fluoroazetidin-1-yl)-[(5R)-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl]methanone
CID 129547057
(3-Cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone
CID 131682606
7-(5-fluoropyrimidin-2-yl)-N-(2-pyrrolidin-1-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079613
N-methyl-N-propan-2-yl-9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155864848
(3-Hydroxy-3-propylazetidin-1-yl)-(1-pyrimidin-2-ylpyrrolidin-2-yl)methanone
CID 65930151
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 79376888
N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 79383893

Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491288) is (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is DPBKIFJVLMJRMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11(2)19(3)13(21)12-9-15(22-18-12)5-8-20(10-15)14-16-6-4-7-17-14/h4,6-7,11H,5,8-10H2,1-3H3/t15-/m0/s1.
What are the key properties of (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methyl-N-propan-2-yl-7-pyrimidin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).